1-(4-chlorophenyl)-2,3-diphenyl-1H-indene

C27H19Cl — CID 135025130

IUPAC1-(4-chlorophenyl)-2,3-diphenyl-1H-indene
SMILESClc1ccc(C2C(c3ccccc3)=C(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C27H19Cl/c28-22-17-15-21(16-18-22)26-24-14-8-7-13-23(24)25(19-9-3-1-4-10-19)27(26)20-11-5-2-6-12-20/h1-18,26H
InChIKeyCOANCMCEOPOBRJ-UHFFFAOYSA-N
MW378.90 g/mol
LogP7.44
Rot. Bonds3

About 1-(4-chlorophenyl)-2,3-diphenyl-1H-indene

1-(4-chlorophenyl)-2,3-diphenyl-1H-indene (PubChem CID 135025130) has the molecular formula C27H19Cl and a molecular weight of 378.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2,3-diphenyl-1H-indene.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2,3-diphenyl-1H-indene
PubChem CID135025130
Molecular FormulaC27H19Cl
Molecular Weight378.90 g/mol
Exact Mass378.12
IUPAC Name1-(4-chlorophenyl)-2,3-diphenyl-1H-indene
SMILESClc1ccc(C2C(c3ccccc3)=C(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C27H19Cl/c28-22-17-15-21(16-18-22)26-24-14-8-7-13-23(24)25(19-9-3-1-4-10-19)27(26)20-11-5-2-6-12-20/h1-18,26H
InChIKeyCOANCMCEOPOBRJ-UHFFFAOYSA-N
XLogP7.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.90
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2,3-diphenyl-1H-indene?
The IUPAC name of 1-(4-chlorophenyl)-2,3-diphenyl-1H-indene (CID 135025130) is 1-(4-chlorophenyl)-2,3-diphenyl-1H-indene.
What is the SMILES notation for 1-(4-chlorophenyl)-2,3-diphenyl-1H-indene?
The canonical SMILES for 1-(4-chlorophenyl)-2,3-diphenyl-1H-indene is Clc1ccc(C2C(c3ccccc3)=C(c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2,3-diphenyl-1H-indene?
The InChIKey is COANCMCEOPOBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19Cl/c28-22-17-15-21(16-18-22)26-24-14-8-7-13-23(24)25(19-9-3-1-4-10-19)27(26)20-11-5-2-6-12-20/h1-18,26H.
What are the key properties of 1-(4-chlorophenyl)-2,3-diphenyl-1H-indene?
1-(4-chlorophenyl)-2,3-diphenyl-1H-indene has a molecular weight of 378.90 g/mol, XLogP of 7.44, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2,3-diphenyl-1H-indene is sourced from PubChem (CID 135025130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).