2,5-diphenyl-4-(2-propan-2-ylphenyl)-1H-indene

C30H26 — CID 87703147

IUPAC2,5-diphenyl-4-(2-propan-2-ylphenyl)-1H-indene
SMILESCC(C)c1ccccc1-c1c(-c2ccccc2)ccc2c1C=C(c1ccccc1)C2
InChIInChI=1S/C30H26/c1-21(2)26-15-9-10-16-28(26)30-27(23-13-7-4-8-14-23)18-17-24-19-25(20-29(24)30)22-11-5-3-6-12-22/h3-18,20-21H,19H2,1-2H3
InChIKeySYQHISNDBXGDQC-UHFFFAOYSA-N
MW386.54 g/mol
LogP8.24
Rot. Bonds4

About 2,5-diphenyl-4-(2-propan-2-ylphenyl)-1H-indene

2,5-diphenyl-4-(2-propan-2-ylphenyl)-1H-indene (PubChem CID 87703147) has the molecular formula C30H26 and a molecular weight of 386.54 g/mol. Its IUPAC name is 2,5-diphenyl-4-(2-propan-2-ylphenyl)-1H-indene.

Molecular Properties

Compound Name2,5-diphenyl-4-(2-propan-2-ylphenyl)-1H-indene
PubChem CID87703147
Molecular FormulaC30H26
Molecular Weight386.54 g/mol
Exact Mass386.20
IUPAC Name2,5-diphenyl-4-(2-propan-2-ylphenyl)-1H-indene
SMILESCC(C)c1ccccc1-c1c(-c2ccccc2)ccc2c1C=C(c1ccccc1)C2
InChIInChI=1S/C30H26/c1-21(2)26-15-9-10-16-28(26)30-27(23-13-7-4-8-14-23)18-17-24-19-25(20-29(24)30)22-11-5-3-6-12-22/h3-18,20-21H,19H2,1-2H3
InChIKeySYQHISNDBXGDQC-UHFFFAOYSA-N
XLogP8.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 58.24
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 2,5-diphenyl-4-(2-propan-2-ylphenyl)-1H-indene?
The IUPAC name of 2,5-diphenyl-4-(2-propan-2-ylphenyl)-1H-indene (CID 87703147) is 2,5-diphenyl-4-(2-propan-2-ylphenyl)-1H-indene.
What is the SMILES notation for 2,5-diphenyl-4-(2-propan-2-ylphenyl)-1H-indene?
The canonical SMILES for 2,5-diphenyl-4-(2-propan-2-ylphenyl)-1H-indene is CC(C)c1ccccc1-c1c(-c2ccccc2)ccc2c1C=C(c1ccccc1)C2.
What is the InChIKey of 2,5-diphenyl-4-(2-propan-2-ylphenyl)-1H-indene?
The InChIKey is SYQHISNDBXGDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26/c1-21(2)26-15-9-10-16-28(26)30-27(23-13-7-4-8-14-23)18-17-24-19-25(20-29(24)30)22-11-5-3-6-12-22/h3-18,20-21H,19H2,1-2H3.
What are the key properties of 2,5-diphenyl-4-(2-propan-2-ylphenyl)-1H-indene?
2,5-diphenyl-4-(2-propan-2-ylphenyl)-1H-indene has a molecular weight of 386.54 g/mol, XLogP of 8.24, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenyl-4-(2-propan-2-ylphenyl)-1H-indene is sourced from PubChem (CID 87703147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).