2-phenyl-4-(2-propan-2-ylphenyl)-5-propyl-1H-indene

C27H28 — CID 87702838

IUPAC2-phenyl-4-(2-propan-2-ylphenyl)-5-propyl-1H-indene
SMILESCCCc1ccc2c(c1-c1ccccc1C(C)C)C=C(c1ccccc1)C2
InChIInChI=1S/C27H28/c1-4-10-21-15-16-22-17-23(20-11-6-5-7-12-20)18-26(22)27(21)25-14-9-8-13-24(25)19(2)3/h5-9,11-16,18-19H,4,10,17H2,1-3H3
InChIKeyMOPVXMZBENIJOU-UHFFFAOYSA-N
MW352.52 g/mol
LogP7.53
Rot. Bonds5

About 2-phenyl-4-(2-propan-2-ylphenyl)-5-propyl-1H-indene

2-phenyl-4-(2-propan-2-ylphenyl)-5-propyl-1H-indene (PubChem CID 87702838) has the molecular formula C27H28 and a molecular weight of 352.52 g/mol. Its IUPAC name is 2-phenyl-4-(2-propan-2-ylphenyl)-5-propyl-1H-indene.

Molecular Properties

Compound Name2-phenyl-4-(2-propan-2-ylphenyl)-5-propyl-1H-indene
PubChem CID87702838
Molecular FormulaC27H28
Molecular Weight352.52 g/mol
Exact Mass352.22
IUPAC Name2-phenyl-4-(2-propan-2-ylphenyl)-5-propyl-1H-indene
SMILESCCCc1ccc2c(c1-c1ccccc1C(C)C)C=C(c1ccccc1)C2
InChIInChI=1S/C27H28/c1-4-10-21-15-16-22-17-23(20-11-6-5-7-12-20)18-26(22)27(21)25-14-9-8-13-24(25)19(2)3/h5-9,11-16,18-19H,4,10,17H2,1-3H3
InChIKeyMOPVXMZBENIJOU-UHFFFAOYSA-N
XLogP7.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.52
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,5-diphenyl-4-(2-propan-2-ylphenyl)-1H-indene
CID 87703147
5-phenyl-4-(2-propan-2-ylphenyl)-2-propyl-1H-indene
CID 87703779
5-methyl-4-(2-propan-2-ylphenyl)-2-propyl-1H-indene
CID 87702540
2-butan-2-yl-5-ethyl-4-(2-propan-2-ylphenyl)-1H-indene
CID 87703689
2-(2-methylpropyl)-4-phenyl-5-propyl-1H-indene
CID 87703739
2-butyl-5-propan-2-yl-4-(2-propan-2-ylphenyl)-1H-indene
CID 87703016
4-(2-ethylphenyl)-2-(2-methylpropyl)-5-propyl-1H-indene
CID 87703800
4-(2-methylphenyl)-2-(2-methylpropyl)-5-propyl-1H-indene
CID 87702877
2-phenyl-4-(4-propylphenyl)-1H-indene;zirconium
CID 174563339
dichlorozirconium;2-phenyl-4-(2-propan-2-ylphenyl)-5-propyl-1H-inden-1-ide
CID 87884211
5-ethyl-4-phenyl-2-propyl-1H-indene
CID 87703151
2-tert-butyl-5-methyl-4-(2-propan-2-ylphenyl)-1H-indene
CID 87702973

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(2-propan-2-ylphenyl)-5-propyl-1H-indene?
The IUPAC name of 2-phenyl-4-(2-propan-2-ylphenyl)-5-propyl-1H-indene (CID 87702838) is 2-phenyl-4-(2-propan-2-ylphenyl)-5-propyl-1H-indene.
What is the SMILES notation for 2-phenyl-4-(2-propan-2-ylphenyl)-5-propyl-1H-indene?
The canonical SMILES for 2-phenyl-4-(2-propan-2-ylphenyl)-5-propyl-1H-indene is CCCc1ccc2c(c1-c1ccccc1C(C)C)C=C(c1ccccc1)C2.
What is the InChIKey of 2-phenyl-4-(2-propan-2-ylphenyl)-5-propyl-1H-indene?
The InChIKey is MOPVXMZBENIJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28/c1-4-10-21-15-16-22-17-23(20-11-6-5-7-12-20)18-26(22)27(21)25-14-9-8-13-24(25)19(2)3/h5-9,11-16,18-19H,4,10,17H2,1-3H3.
What are the key properties of 2-phenyl-4-(2-propan-2-ylphenyl)-5-propyl-1H-indene?
2-phenyl-4-(2-propan-2-ylphenyl)-5-propyl-1H-indene has a molecular weight of 352.52 g/mol, XLogP of 7.53, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(2-propan-2-ylphenyl)-5-propyl-1H-indene is sourced from PubChem (CID 87702838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).