2-methyl-1-[4-(2-methyl-7-phenyl-3H-inden-1-yl)butyl]-7-phenyl-1H-indene

C36H34 — CID 57259609

IUPAC2-methyl-1-[4-(2-methyl-7-phenyl-3H-inden-1-yl)butyl]-7-phenyl-1H-indene
SMILESCC1=Cc2cccc(-c3ccccc3)c2C1CCCCC1=C(C)Cc2cccc(-c3ccccc3)c21
InChIInChI=1S/C36H34/c1-25-23-29-17-11-21-33(27-13-5-3-6-14-27)35(29)31(25)19-9-10-20-32-26(2)24-30-18-12-22-34(36(30)32)28-15-7-4-8-16-28/h3-8,11-18,21-23,31H,9-10,19-20,24H2,1-2H3
InChIKeyMRLLYILLVBPTAH-UHFFFAOYSA-N
MW466.67 g/mol
LogP10.11
Rot. Bonds7

About 2-methyl-1-[4-(2-methyl-7-phenyl-3H-inden-1-yl)butyl]-7-phenyl-1H-indene

2-methyl-1-[4-(2-methyl-7-phenyl-3H-inden-1-yl)butyl]-7-phenyl-1H-indene (PubChem CID 57259609) has the molecular formula C36H34 and a molecular weight of 466.67 g/mol. Its IUPAC name is 2-methyl-1-[4-(2-methyl-7-phenyl-3H-inden-1-yl)butyl]-7-phenyl-1H-indene.

Molecular Properties

Compound Name2-methyl-1-[4-(2-methyl-7-phenyl-3H-inden-1-yl)butyl]-7-phenyl-1H-indene
PubChem CID57259609
Molecular FormulaC36H34
Molecular Weight466.67 g/mol
Exact Mass466.27
IUPAC Name2-methyl-1-[4-(2-methyl-7-phenyl-3H-inden-1-yl)butyl]-7-phenyl-1H-indene
SMILESCC1=Cc2cccc(-c3ccccc3)c2C1CCCCC1=C(C)Cc2cccc(-c3ccccc3)c21
InChIInChI=1S/C36H34/c1-25-23-29-17-11-21-33(27-13-5-3-6-14-27)35(29)31(25)19-9-10-20-32-26(2)24-30-18-12-22-34(36(30)32)28-15-7-4-8-16-28/h3-8,11-18,21-23,31H,9-10,19-20,24H2,1-2H3
InChIKeyMRLLYILLVBPTAH-UHFFFAOYSA-N
XLogP10.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.67
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-methyl-1-[4-(2-methyl-7-phenyl-3H-inden-1-yl)butyl]-7-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

methyl-(2-methyl-7-phenyl-1H-inden-1-yl)-(2-methyl-7-phenyl-3H-inden-1-yl)-phenylsilane
CID 54094543
2-methyl-1-[2-(2-methyl-3H-inden-1-yl)ethyl]-1H-indene
CID 54474660
4-(4-tert-butylphenyl)-2-methyl-3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-indene
CID 162768247
bis(4-methylphenyl)-bis(2-methyl-7-phenyl-3H-inden-1-yl)silane
CID 87864949
3-butyl-2-methyl-1H-indene
CID 15422807
1-[(2-methyl-1H-inden-1-yl)methyl]-4-phenyl-1H-indene
CID 18477321
lithium;hydride;1-methyl-2,3-diphenylbenzene
CID 175388205
2-methyl-3-[2-(2-methyl-1H-inden-1-yl)ethyl]-9H-cyclopenta[b]naphthalene
CID 173041017
2-N,7-N-dimethyl-9-[(2-methyl-7-phenyl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene-2,7-diamine
CID 139937216
1-hexyl-2,3-diphenylbenzene
CID 54065322
1-methyl-2,3-diphenylbenzene;sulfane
CID 174862423
azane;1-methyl-2,3-diphenylbenzene
CID 175031313

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(2-methyl-7-phenyl-3H-inden-1-yl)butyl]-7-phenyl-1H-indene?
The IUPAC name of 2-methyl-1-[4-(2-methyl-7-phenyl-3H-inden-1-yl)butyl]-7-phenyl-1H-indene (CID 57259609) is 2-methyl-1-[4-(2-methyl-7-phenyl-3H-inden-1-yl)butyl]-7-phenyl-1H-indene.
What is the SMILES notation for 2-methyl-1-[4-(2-methyl-7-phenyl-3H-inden-1-yl)butyl]-7-phenyl-1H-indene?
The canonical SMILES for 2-methyl-1-[4-(2-methyl-7-phenyl-3H-inden-1-yl)butyl]-7-phenyl-1H-indene is CC1=Cc2cccc(-c3ccccc3)c2C1CCCCC1=C(C)Cc2cccc(-c3ccccc3)c21.
What is the InChIKey of 2-methyl-1-[4-(2-methyl-7-phenyl-3H-inden-1-yl)butyl]-7-phenyl-1H-indene?
The InChIKey is MRLLYILLVBPTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34/c1-25-23-29-17-11-21-33(27-13-5-3-6-14-27)35(29)31(25)19-9-10-20-32-26(2)24-30-18-12-22-34(36(30)32)28-15-7-4-8-16-28/h3-8,11-18,21-23,31H,9-10,19-20,24H2,1-2H3.
What are the key properties of 2-methyl-1-[4-(2-methyl-7-phenyl-3H-inden-1-yl)butyl]-7-phenyl-1H-indene?
2-methyl-1-[4-(2-methyl-7-phenyl-3H-inden-1-yl)butyl]-7-phenyl-1H-indene has a molecular weight of 466.67 g/mol, XLogP of 10.11, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(2-methyl-7-phenyl-3H-inden-1-yl)butyl]-7-phenyl-1H-indene is sourced from PubChem (CID 57259609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).