EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	HE7ABK56N5

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

HE7ABK56N5


InChI Key	PHLASVAENYNAOW-UHFFFAOYSA-N
Smiles	O([Si](O[Si](C=1C=CC=CC1)(C=2C=CC=CC2)C)(C=3C=CC=CC3)C)[Si](C=4C=CC=CC4)(C=5C=CC=CC5)C
InChI	InChI=1/C33H34O2Si3/c1-36(29-19-9-4-10-20-29,30-21-11-5-12-22-30)34-38(3,33-27-17-8-18-28-33)35-37(2,31-23-13-6-14-24-31)32-25-15-7-16-26-32/h4-28H,1-3H3

InChI Key

PHLASVAENYNAOW-UHFFFAOYSA-N

Smiles

O([Si](O[Si](C=1C=CC=CC1)(C=2C=CC=CC2)C)(C=3C=CC=CC3)C)[Si](C=4C=CC=CC4)(C=5C=CC=CC5)C

InChI

InChI=1/C33H34O2Si3/c1-36(29-19-9-4-10-20-29,30-21-11-5-12-22-30)34-38(3,33-27-17-8-18-28-33)35-37(2,31-23-13-6-14-24-31)32-25-15-7-16-26-32/h4-28H,1-3H3

Property Name	Value
Molecular Formula	C33H34O2Si3
Molecular Weight	546.19
AlogP	4.78
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	9.0
Polar Surface Area	18.46
Heavy Atoms	38.0

Property Name

Value

Molecular Formula

C33H34O2Si3

Molecular Weight

546.19

AlogP

4.78

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

9.0

Polar Surface Area

18.46

Heavy Atoms

38.0

Resources	Reference
CAS NUMBER	28855-11-0
NORMAN SUSDAT
FDA SRS	HE7ABK56N5
PubChem	76925

Resources

Reference

CAS NUMBER

28855-11-0

NORMAN SUSDAT

FDA SRS

HE7ABK56N5

PubChem

76925

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

1,3,5-TRIMETHYL-1,1,3,5,5-PENTAPHENYLTRISILOXANE

Structure

Physicochemical Descriptors

Cross References