3-(1H-inden-1-ylmethyl)-2-methyl-9H-cyclopenta[b]naphthalene

C24H20 — CID 91084653

IUPAC3-(1H-inden-1-ylmethyl)-2-methyl-9H-cyclopenta[b]naphthalene
SMILESCC1=C(CC2C=Cc3ccccc32)C2=Cc3ccccc3CC2=C1
InChIInChI=1S/C24H20/c1-16-12-21-13-18-7-2-3-8-19(18)14-24(21)23(16)15-20-11-10-17-6-4-5-9-22(17)20/h2-12,14,20H,13,15H2,1H3
InChIKeyJMPPYGQOXCZPQX-UHFFFAOYSA-N
MW308.42 g/mol
LogP6.08
Rot. Bonds2

About 3-(1H-inden-1-ylmethyl)-2-methyl-9H-cyclopenta[b]naphthalene

3-(1H-inden-1-ylmethyl)-2-methyl-9H-cyclopenta[b]naphthalene (PubChem CID 91084653) has the molecular formula C24H20 and a molecular weight of 308.42 g/mol. Its IUPAC name is 3-(1H-inden-1-ylmethyl)-2-methyl-9H-cyclopenta[b]naphthalene.

Molecular Properties

Compound Name3-(1H-inden-1-ylmethyl)-2-methyl-9H-cyclopenta[b]naphthalene
PubChem CID91084653
Molecular FormulaC24H20
Molecular Weight308.42 g/mol
Exact Mass308.16
IUPAC Name3-(1H-inden-1-ylmethyl)-2-methyl-9H-cyclopenta[b]naphthalene
SMILESCC1=C(CC2C=Cc3ccccc32)C2=Cc3ccccc3CC2=C1
InChIInChI=1S/C24H20/c1-16-12-21-13-18-7-2-3-8-19(18)14-24(21)23(16)15-20-11-10-17-6-4-5-9-22(17)20/h2-12,14,20H,13,15H2,1H3
InChIKeyJMPPYGQOXCZPQX-UHFFFAOYSA-N
XLogP6.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.42
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-(1H-inden-1-ylmethyl)-2-methyl-9H-cyclopenta[b]naphthalene 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 3-(1H-inden-1-ylmethyl)-2-methyl-9H-cyclopenta[b]naphthalene?
The IUPAC name of 3-(1H-inden-1-ylmethyl)-2-methyl-9H-cyclopenta[b]naphthalene (CID 91084653) is 3-(1H-inden-1-ylmethyl)-2-methyl-9H-cyclopenta[b]naphthalene.
What is the SMILES notation for 3-(1H-inden-1-ylmethyl)-2-methyl-9H-cyclopenta[b]naphthalene?
The canonical SMILES for 3-(1H-inden-1-ylmethyl)-2-methyl-9H-cyclopenta[b]naphthalene is CC1=C(CC2C=Cc3ccccc32)C2=Cc3ccccc3CC2=C1.
What is the InChIKey of 3-(1H-inden-1-ylmethyl)-2-methyl-9H-cyclopenta[b]naphthalene?
The InChIKey is JMPPYGQOXCZPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20/c1-16-12-21-13-18-7-2-3-8-19(18)14-24(21)23(16)15-20-11-10-17-6-4-5-9-22(17)20/h2-12,14,20H,13,15H2,1H3.
What are the key properties of 3-(1H-inden-1-ylmethyl)-2-methyl-9H-cyclopenta[b]naphthalene?
3-(1H-inden-1-ylmethyl)-2-methyl-9H-cyclopenta[b]naphthalene has a molecular weight of 308.42 g/mol, XLogP of 6.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-inden-1-ylmethyl)-2-methyl-9H-cyclopenta[b]naphthalene is sourced from PubChem (CID 91084653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).