(2,4,5-triphenylcyclopenta-1,4-dien-1-yl)methylsilane

C24H22Si — CID 174669265

IUPAC(2,4,5-triphenylcyclopenta-1,4-dien-1-yl)methylsilane
SMILES[SiH3]CC1=C(c2ccccc2)CC(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C24H22Si/c25-17-23-21(18-10-4-1-5-11-18)16-22(19-12-6-2-7-13-19)24(23)20-14-8-3-9-15-20/h1-15H,16-17H2,25H3
InChIKeyZWWUCDPBFSTCNY-UHFFFAOYSA-N
MW338.53 g/mol
LogP5.24
Rot. Bonds4

About (2,4,5-triphenylcyclopenta-1,4-dien-1-yl)methylsilane

(2,4,5-triphenylcyclopenta-1,4-dien-1-yl)methylsilane (PubChem CID 174669265) has the molecular formula C24H22Si and a molecular weight of 338.53 g/mol. Its IUPAC name is (2,4,5-triphenylcyclopenta-1,4-dien-1-yl)methylsilane.

Molecular Properties

Compound Name(2,4,5-triphenylcyclopenta-1,4-dien-1-yl)methylsilane
PubChem CID174669265
Molecular FormulaC24H22Si
Molecular Weight338.53 g/mol
Exact Mass338.15
IUPAC Name(2,4,5-triphenylcyclopenta-1,4-dien-1-yl)methylsilane
SMILES[SiH3]CC1=C(c2ccccc2)CC(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C24H22Si/c25-17-23-21(18-10-4-1-5-11-18)16-22(19-12-6-2-7-13-19)24(23)20-14-8-3-9-15-20/h1-15H,16-17H2,25H3
InChIKeyZWWUCDPBFSTCNY-UHFFFAOYSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.53
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,4,5-triphenylcyclopenta-1,4-dien-1-yl)methylsilane?
The IUPAC name of (2,4,5-triphenylcyclopenta-1,4-dien-1-yl)methylsilane (CID 174669265) is (2,4,5-triphenylcyclopenta-1,4-dien-1-yl)methylsilane.
What is the SMILES notation for (2,4,5-triphenylcyclopenta-1,4-dien-1-yl)methylsilane?
The canonical SMILES for (2,4,5-triphenylcyclopenta-1,4-dien-1-yl)methylsilane is [SiH3]CC1=C(c2ccccc2)CC(c2ccccc2)=C1c1ccccc1.
What is the InChIKey of (2,4,5-triphenylcyclopenta-1,4-dien-1-yl)methylsilane?
The InChIKey is ZWWUCDPBFSTCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Si/c25-17-23-21(18-10-4-1-5-11-18)16-22(19-12-6-2-7-13-19)24(23)20-14-8-3-9-15-20/h1-15H,16-17H2,25H3.
What are the key properties of (2,4,5-triphenylcyclopenta-1,4-dien-1-yl)methylsilane?
(2,4,5-triphenylcyclopenta-1,4-dien-1-yl)methylsilane has a molecular weight of 338.53 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,5-triphenylcyclopenta-1,4-dien-1-yl)methylsilane is sourced from PubChem (CID 174669265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).