5-tert-butyl-4-(2-phenylphenyl)-2-propyl-1H-indene

C28H30 — CID 87702713

IUPAC5-tert-butyl-4-(2-phenylphenyl)-2-propyl-1H-indene
SMILESCCCC1=Cc2c(ccc(C(C)(C)C)c2-c2ccccc2-c2ccccc2)C1
InChIInChI=1S/C28H30/c1-5-11-20-18-22-16-17-26(28(2,3)4)27(25(22)19-20)24-15-10-9-14-23(24)21-12-7-6-8-13-21/h6-10,12-17,19H,5,11,18H2,1-4H3
InChIKeyODPWOMWTXSYASL-UHFFFAOYSA-N
MW366.55 g/mol
LogP8.06
Rot. Bonds4

About 5-tert-butyl-4-(2-phenylphenyl)-2-propyl-1H-indene

5-tert-butyl-4-(2-phenylphenyl)-2-propyl-1H-indene (PubChem CID 87702713) has the molecular formula C28H30 and a molecular weight of 366.55 g/mol. Its IUPAC name is 5-tert-butyl-4-(2-phenylphenyl)-2-propyl-1H-indene.

Molecular Properties

Compound Name5-tert-butyl-4-(2-phenylphenyl)-2-propyl-1H-indene
PubChem CID87702713
Molecular FormulaC28H30
Molecular Weight366.55 g/mol
Exact Mass366.23
IUPAC Name5-tert-butyl-4-(2-phenylphenyl)-2-propyl-1H-indene
SMILESCCCC1=Cc2c(ccc(C(C)(C)C)c2-c2ccccc2-c2ccccc2)C1
InChIInChI=1S/C28H30/c1-5-11-20-18-22-16-17-26(28(2,3)4)27(25(22)19-20)24-15-10-9-14-23(24)21-12-7-6-8-13-21/h6-10,12-17,19H,5,11,18H2,1-4H3
InChIKeyODPWOMWTXSYASL-UHFFFAOYSA-N
XLogP8.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5-tert-butyl-4-(2-phenylphenyl)-2-propyl-1H-indene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-(2-phenylphenyl)-2-propyl-1H-indene?
The IUPAC name of 5-tert-butyl-4-(2-phenylphenyl)-2-propyl-1H-indene (CID 87702713) is 5-tert-butyl-4-(2-phenylphenyl)-2-propyl-1H-indene.
What is the SMILES notation for 5-tert-butyl-4-(2-phenylphenyl)-2-propyl-1H-indene?
The canonical SMILES for 5-tert-butyl-4-(2-phenylphenyl)-2-propyl-1H-indene is CCCC1=Cc2c(ccc(C(C)(C)C)c2-c2ccccc2-c2ccccc2)C1.
What is the InChIKey of 5-tert-butyl-4-(2-phenylphenyl)-2-propyl-1H-indene?
The InChIKey is ODPWOMWTXSYASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30/c1-5-11-20-18-22-16-17-26(28(2,3)4)27(25(22)19-20)24-15-10-9-14-23(24)21-12-7-6-8-13-21/h6-10,12-17,19H,5,11,18H2,1-4H3.
What are the key properties of 5-tert-butyl-4-(2-phenylphenyl)-2-propyl-1H-indene?
5-tert-butyl-4-(2-phenylphenyl)-2-propyl-1H-indene has a molecular weight of 366.55 g/mol, XLogP of 8.06, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-(2-phenylphenyl)-2-propyl-1H-indene is sourced from PubChem (CID 87702713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).