2,5-dimethyl-4-phenyl-1H-indene

C34H32 — CID 173229793

IUPAC2,5-dimethyl-4-phenyl-1H-indene
SMILESCC1=Cc2c(ccc(C)c2-c2ccccc2)C1.CC1=Cc2c(ccc(C)c2-c2ccccc2)C1
InChIInChI=1S/2C17H16/c2*1-12-10-15-9-8-13(2)17(16(15)11-12)14-6-4-3-5-7-14/h2*3-9,11H,10H2,1-2H3
InChIKeyYMKKVEYPTIXJEJ-UHFFFAOYSA-N
MW440.63 g/mol
LogP9.24
Rot. Bonds2

About 2,5-dimethyl-4-phenyl-1H-indene

2,5-dimethyl-4-phenyl-1H-indene (PubChem CID 173229793) has the molecular formula C34H32 and a molecular weight of 440.63 g/mol. Its IUPAC name is 2,5-dimethyl-4-phenyl-1H-indene.

Molecular Properties

Compound Name2,5-dimethyl-4-phenyl-1H-indene
PubChem CID173229793
Molecular FormulaC34H32
Molecular Weight440.63 g/mol
Exact Mass440.25
IUPAC Name2,5-dimethyl-4-phenyl-1H-indene
SMILESCC1=Cc2c(ccc(C)c2-c2ccccc2)C1.CC1=Cc2c(ccc(C)c2-c2ccccc2)C1
InChIInChI=1S/2C17H16/c2*1-12-10-15-9-8-13(2)17(16(15)11-12)14-6-4-3-5-7-14/h2*3-9,11H,10H2,1-2H3
InChIKeyYMKKVEYPTIXJEJ-UHFFFAOYSA-N
XLogP9.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.63
LogP ≤ 59.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,5-dimethyl-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

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-phenyl-1H-indene?
The IUPAC name of 2,5-dimethyl-4-phenyl-1H-indene (CID 173229793) is 2,5-dimethyl-4-phenyl-1H-indene.
What is the SMILES notation for 2,5-dimethyl-4-phenyl-1H-indene?
The canonical SMILES for 2,5-dimethyl-4-phenyl-1H-indene is CC1=Cc2c(ccc(C)c2-c2ccccc2)C1.CC1=Cc2c(ccc(C)c2-c2ccccc2)C1.
What is the InChIKey of 2,5-dimethyl-4-phenyl-1H-indene?
The InChIKey is YMKKVEYPTIXJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H16/c2*1-12-10-15-9-8-13(2)17(16(15)11-12)14-6-4-3-5-7-14/h2*3-9,11H,10H2,1-2H3.
What are the key properties of 2,5-dimethyl-4-phenyl-1H-indene?
2,5-dimethyl-4-phenyl-1H-indene has a molecular weight of 440.63 g/mol, XLogP of 9.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-phenyl-1H-indene is sourced from PubChem (CID 173229793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).