1-methyl-1,3-bis(3-methylphenyl)-3-phenyl-2H-indene

C30H28 — CID 86216203

IUPAC1-methyl-1,3-bis(3-methylphenyl)-3-phenyl-2H-indene
SMILESCc1cccc(C2(C)CC(c3ccccc3)(c3cccc(C)c3)c3ccccc32)c1
InChIInChI=1S/C30H28/c1-22-11-9-15-25(19-22)29(3)21-30(24-13-5-4-6-14-24,26-16-10-12-23(2)20-26)28-18-8-7-17-27(28)29/h4-20H,21H2,1-3H3
InChIKeyOXCDYJKHNWAXBG-UHFFFAOYSA-N
MW388.55 g/mol
LogP7.35
Rot. Bonds3

About 1-methyl-1,3-bis(3-methylphenyl)-3-phenyl-2H-indene

1-methyl-1,3-bis(3-methylphenyl)-3-phenyl-2H-indene (PubChem CID 86216203) has the molecular formula C30H28 and a molecular weight of 388.55 g/mol. Its IUPAC name is 1-methyl-1,3-bis(3-methylphenyl)-3-phenyl-2H-indene.

Molecular Properties

Compound Name1-methyl-1,3-bis(3-methylphenyl)-3-phenyl-2H-indene
PubChem CID86216203
Molecular FormulaC30H28
Molecular Weight388.55 g/mol
Exact Mass388.22
IUPAC Name1-methyl-1,3-bis(3-methylphenyl)-3-phenyl-2H-indene
SMILESCc1cccc(C2(C)CC(c3ccccc3)(c3cccc(C)c3)c3ccccc32)c1
InChIInChI=1S/C30H28/c1-22-11-9-15-25(19-22)29(3)21-30(24-13-5-4-6-14-24,26-16-10-12-23(2)20-26)28-18-8-7-17-27(28)29/h4-20H,21H2,1-3H3
InChIKeyOXCDYJKHNWAXBG-UHFFFAOYSA-N
XLogP7.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.55
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,3-bis(3-methylphenyl)-3-phenyl-2H-indene?
The IUPAC name of 1-methyl-1,3-bis(3-methylphenyl)-3-phenyl-2H-indene (CID 86216203) is 1-methyl-1,3-bis(3-methylphenyl)-3-phenyl-2H-indene.
What is the SMILES notation for 1-methyl-1,3-bis(3-methylphenyl)-3-phenyl-2H-indene?
The canonical SMILES for 1-methyl-1,3-bis(3-methylphenyl)-3-phenyl-2H-indene is Cc1cccc(C2(C)CC(c3ccccc3)(c3cccc(C)c3)c3ccccc32)c1.
What is the InChIKey of 1-methyl-1,3-bis(3-methylphenyl)-3-phenyl-2H-indene?
The InChIKey is OXCDYJKHNWAXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28/c1-22-11-9-15-25(19-22)29(3)21-30(24-13-5-4-6-14-24,26-16-10-12-23(2)20-26)28-18-8-7-17-27(28)29/h4-20H,21H2,1-3H3.
What are the key properties of 1-methyl-1,3-bis(3-methylphenyl)-3-phenyl-2H-indene?
1-methyl-1,3-bis(3-methylphenyl)-3-phenyl-2H-indene has a molecular weight of 388.55 g/mol, XLogP of 7.35, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,3-bis(3-methylphenyl)-3-phenyl-2H-indene is sourced from PubChem (CID 86216203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).