2-methyl-1-[3-(2-methyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)propyl]-4-phenyl-1H-indene

C35H36 — CID 162298446

IUPAC2-methyl-1-[3-(2-methyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)propyl]-4-phenyl-1H-indene
SMILESCC1=Cc2c(-c3ccccc3)cccc2C1CCCC1C(C)CC2C(c3ccccc3)=CC=CC21
InChIInChI=1S/C35H36/c1-24-22-34-30(26-12-5-3-6-13-26)18-10-20-32(34)28(24)16-9-17-29-25(2)23-35-31(19-11-21-33(29)35)27-14-7-4-8-15-27/h3-8,10-15,18-22,25,28-29,33,35H,9,16-17,23H2,1-2H3
InChIKeyOTVLIBSABDNJHJ-UHFFFAOYSA-N
MW456.67 g/mol
LogP9.57
Rot. Bonds6

About 2-methyl-1-[3-(2-methyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)propyl]-4-phenyl-1H-indene

2-methyl-1-[3-(2-methyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)propyl]-4-phenyl-1H-indene (PubChem CID 162298446) has the molecular formula C35H36 and a molecular weight of 456.67 g/mol. Its IUPAC name is 2-methyl-1-[3-(2-methyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)propyl]-4-phenyl-1H-indene.

Molecular Properties

Compound Name2-methyl-1-[3-(2-methyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)propyl]-4-phenyl-1H-indene
PubChem CID162298446
Molecular FormulaC35H36
Molecular Weight456.67 g/mol
Exact Mass456.28
IUPAC Name2-methyl-1-[3-(2-methyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)propyl]-4-phenyl-1H-indene
SMILESCC1=Cc2c(-c3ccccc3)cccc2C1CCCC1C(C)CC2C(c3ccccc3)=CC=CC21
InChIInChI=1S/C35H36/c1-24-22-34-30(26-12-5-3-6-13-26)18-10-20-32(34)28(24)16-9-17-29-25(2)23-35-31(19-11-21-33(29)35)27-14-7-4-8-15-27/h3-8,10-15,18-22,25,28-29,33,35H,9,16-17,23H2,1-2H3
InChIKeyOTVLIBSABDNJHJ-UHFFFAOYSA-N
XLogP9.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.67
LogP ≤ 59.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-methyl-1-[3-(2-methyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)propyl]-4-phenyl-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

Related Compounds

carbanide;dichlorozirconium(2+);2-methyl-1-[3-(2-methyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)propyl]-4-phenyl-1H-indene
CID 162298445
1-[(1R,2S)-2-methylcyclobutyl]-2-phenylbenzene
CID 162408890
4-(1,2-dimethyl-1H-inden-4-yl)-N,N-dimethylaniline;N,N-dimethyl-4-(2-methyl-1-propyl-1H-inden-4-yl)aniline
CID 143486578
dimethyl-bis[(1R)-2-methyl-4-phenyl-1H-inden-1-yl]silane
CID 101111754
[4-(3,5-ditert-butyl-4-methylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[2-hexyl-4-(2-phenylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane
CID 162270332
1-[(2-methyl-1H-inden-1-yl)methyl]-4-phenyl-1H-indene
CID 18477321
CID 173305494
CID 173305494
1-(2-methylbutyl)-1-(2-methyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silinane
CID 162289121
[methyl-[(2-methyl-4-phenyl-1H-inden-1-yl)methyl]silylidene]zirconium;bis(2-methyl-4-phenyl-1H-inden-1-ide);chloride
CID 172861665
CID 69304218
CID 69304218
CID 175335764
CID 175335764
N,N-diethyl-2-(2-methyl-4-phenyl-1H-inden-1-yl)aniline
CID 155667322

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(2-methyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)propyl]-4-phenyl-1H-indene?
The IUPAC name of 2-methyl-1-[3-(2-methyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)propyl]-4-phenyl-1H-indene (CID 162298446) is 2-methyl-1-[3-(2-methyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)propyl]-4-phenyl-1H-indene.
What is the SMILES notation for 2-methyl-1-[3-(2-methyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)propyl]-4-phenyl-1H-indene?
The canonical SMILES for 2-methyl-1-[3-(2-methyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)propyl]-4-phenyl-1H-indene is CC1=Cc2c(-c3ccccc3)cccc2C1CCCC1C(C)CC2C(c3ccccc3)=CC=CC21.
What is the InChIKey of 2-methyl-1-[3-(2-methyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)propyl]-4-phenyl-1H-indene?
The InChIKey is OTVLIBSABDNJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36/c1-24-22-34-30(26-12-5-3-6-13-26)18-10-20-32(34)28(24)16-9-17-29-25(2)23-35-31(19-11-21-33(29)35)27-14-7-4-8-15-27/h3-8,10-15,18-22,25,28-29,33,35H,9,16-17,23H2,1-2H3.
What are the key properties of 2-methyl-1-[3-(2-methyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)propyl]-4-phenyl-1H-indene?
2-methyl-1-[3-(2-methyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)propyl]-4-phenyl-1H-indene has a molecular weight of 456.67 g/mol, XLogP of 9.57, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(2-methyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)propyl]-4-phenyl-1H-indene is sourced from PubChem (CID 162298446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).