4-(3,5-dimethylphenyl)-2,5-diphenyl-1H-indene

C29H24 — CID 87702697

IUPAC4-(3,5-dimethylphenyl)-2,5-diphenyl-1H-indene
SMILESCc1cc(C)cc(-c2c(-c3ccccc3)ccc3c2C=C(c2ccccc2)C3)c1
InChIInChI=1S/C29H24/c1-20-15-21(2)17-26(16-20)29-27(23-11-7-4-8-12-23)14-13-24-18-25(19-28(24)29)22-9-5-3-6-10-22/h3-17,19H,18H2,1-2H3
InChIKeyZBYRTZIERDBWNQ-UHFFFAOYSA-N
MW372.51 g/mol
LogP7.73
Rot. Bonds3

About 4-(3,5-dimethylphenyl)-2,5-diphenyl-1H-indene

4-(3,5-dimethylphenyl)-2,5-diphenyl-1H-indene (PubChem CID 87702697) has the molecular formula C29H24 and a molecular weight of 372.51 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)-2,5-diphenyl-1H-indene.

Molecular Properties

Compound Name4-(3,5-dimethylphenyl)-2,5-diphenyl-1H-indene
PubChem CID87702697
Molecular FormulaC29H24
Molecular Weight372.51 g/mol
Exact Mass372.19
IUPAC Name4-(3,5-dimethylphenyl)-2,5-diphenyl-1H-indene
SMILESCc1cc(C)cc(-c2c(-c3ccccc3)ccc3c2C=C(c2ccccc2)C3)c1
InChIInChI=1S/C29H24/c1-20-15-21(2)17-26(16-20)29-27(23-11-7-4-8-12-23)14-13-24-18-25(19-28(24)29)22-9-5-3-6-10-22/h3-17,19H,18H2,1-2H3
InChIKeyZBYRTZIERDBWNQ-UHFFFAOYSA-N
XLogP7.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 57.73
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 4-(3,5-dimethylphenyl)-2,5-diphenyl-1H-indene?
The IUPAC name of 4-(3,5-dimethylphenyl)-2,5-diphenyl-1H-indene (CID 87702697) is 4-(3,5-dimethylphenyl)-2,5-diphenyl-1H-indene.
What is the SMILES notation for 4-(3,5-dimethylphenyl)-2,5-diphenyl-1H-indene?
The canonical SMILES for 4-(3,5-dimethylphenyl)-2,5-diphenyl-1H-indene is Cc1cc(C)cc(-c2c(-c3ccccc3)ccc3c2C=C(c2ccccc2)C3)c1.
What is the InChIKey of 4-(3,5-dimethylphenyl)-2,5-diphenyl-1H-indene?
The InChIKey is ZBYRTZIERDBWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24/c1-20-15-21(2)17-26(16-20)29-27(23-11-7-4-8-12-23)14-13-24-18-25(19-28(24)29)22-9-5-3-6-10-22/h3-17,19H,18H2,1-2H3.
What are the key properties of 4-(3,5-dimethylphenyl)-2,5-diphenyl-1H-indene?
4-(3,5-dimethylphenyl)-2,5-diphenyl-1H-indene has a molecular weight of 372.51 g/mol, XLogP of 7.73, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenyl)-2,5-diphenyl-1H-indene is sourced from PubChem (CID 87702697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).