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

C26H24 — CID 173041017

IUPAC2-methyl-3-[2-(2-methyl-1H-inden-1-yl)ethyl]-9H-cyclopenta[b]naphthalene
SMILESCC1=Cc2ccccc2C1CCC1=C(C)C=C2Cc3ccccc3C=C21
InChIInChI=1S/C26H24/c1-17-13-21-9-5-6-10-25(21)23(17)11-12-24-18(2)14-22-15-19-7-3-4-8-20(19)16-26(22)24/h3-10,13-14,16,23H,11-12,15H2,1-2H3
InChIKeyDEDJEMOQWYXFIR-UHFFFAOYSA-N
MW336.48 g/mol
LogP6.86
Rot. Bonds3

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

2-methyl-3-[2-(2-methyl-1H-inden-1-yl)ethyl]-9H-cyclopenta[b]naphthalene (PubChem CID 173041017) has the molecular formula C26H24 and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-methyl-3-[2-(2-methyl-1H-inden-1-yl)ethyl]-9H-cyclopenta[b]naphthalene.

Molecular Properties

Compound Name2-methyl-3-[2-(2-methyl-1H-inden-1-yl)ethyl]-9H-cyclopenta[b]naphthalene
PubChem CID173041017
Molecular FormulaC26H24
Molecular Weight336.48 g/mol
Exact Mass336.19
IUPAC Name2-methyl-3-[2-(2-methyl-1H-inden-1-yl)ethyl]-9H-cyclopenta[b]naphthalene
SMILESCC1=Cc2ccccc2C1CCC1=C(C)C=C2Cc3ccccc3C=C21
InChIInChI=1S/C26H24/c1-17-13-21-9-5-6-10-25(21)23(17)11-12-24-18(2)14-22-15-19-7-3-4-8-20(19)16-26(22)24/h3-10,13-14,16,23H,11-12,15H2,1-2H3
InChIKeyDEDJEMOQWYXFIR-UHFFFAOYSA-N
XLogP6.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-methyl-3-[2-(2-methyl-1H-inden-1-yl)ethyl]-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

Related Compounds

3-(9H-fluoren-9-ylmethyl)-2-methyl-9H-cyclopenta[b]naphthalene
CID 90973968
2-methyl-1-[2-(2-methyl-3H-inden-1-yl)ethyl]-1H-indene
CID 54474660
3-(1H-inden-1-ylmethyl)-2-methyl-9H-cyclopenta[b]naphthalene
CID 91084653
2-methyl-3-[2-(2-methyl-1H-inden-1-yl)propan-2-yl]-9H-cyclopenta[b]naphthalene
CID 173041009
6-methyl-7-[2-(2-methyl-1H-inden-1-yl)ethyl]-8aH-cyclopenta[f][1,3]benzodioxole
CID 87245672
4-bromo-1-[2-(9H-fluoren-9-yl)ethyl]-2-methyl-4H-cyclopenta[b]naphthalene
CID 67040034
1-ethyl-2-methyl-1H-indene
CID 12910549
1-(1H-inden-2-ylmethyl)-2,4-dimethyl-4H-cyclopenta[b]naphthalene
CID 91237099
6-bromo-3-[2-(1H-inden-2-yl)ethyl]-2,9-dimethyl-3H-cyclopenta[b]naphthalene
CID 67040087
3,6-ditert-butyl-9-[2-(2-methyl-1H-inden-1-yl)ethyl]-9H-fluorene
CID 91296033
4-bromo-1-[2-(1H-inden-2-yl)ethyl]-2-methyl-5,6,7,8-tetrahydro-1H-cyclopenta[b]naphthalene
CID 67039459
2-(2-methyl-1H-inden-1-yl)acetic acid
CID 150876820

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-(2-methyl-1H-inden-1-yl)ethyl]-9H-cyclopenta[b]naphthalene?
The IUPAC name of 2-methyl-3-[2-(2-methyl-1H-inden-1-yl)ethyl]-9H-cyclopenta[b]naphthalene (CID 173041017) is 2-methyl-3-[2-(2-methyl-1H-inden-1-yl)ethyl]-9H-cyclopenta[b]naphthalene.
What is the SMILES notation for 2-methyl-3-[2-(2-methyl-1H-inden-1-yl)ethyl]-9H-cyclopenta[b]naphthalene?
The canonical SMILES for 2-methyl-3-[2-(2-methyl-1H-inden-1-yl)ethyl]-9H-cyclopenta[b]naphthalene is CC1=Cc2ccccc2C1CCC1=C(C)C=C2Cc3ccccc3C=C21.
What is the InChIKey of 2-methyl-3-[2-(2-methyl-1H-inden-1-yl)ethyl]-9H-cyclopenta[b]naphthalene?
The InChIKey is DEDJEMOQWYXFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24/c1-17-13-21-9-5-6-10-25(21)23(17)11-12-24-18(2)14-22-15-19-7-3-4-8-20(19)16-26(22)24/h3-10,13-14,16,23H,11-12,15H2,1-2H3.
What are the key properties of 2-methyl-3-[2-(2-methyl-1H-inden-1-yl)ethyl]-9H-cyclopenta[b]naphthalene?
2-methyl-3-[2-(2-methyl-1H-inden-1-yl)ethyl]-9H-cyclopenta[b]naphthalene has a molecular weight of 336.48 g/mol, XLogP of 6.86, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-(2-methyl-1H-inden-1-yl)ethyl]-9H-cyclopenta[b]naphthalene is sourced from PubChem (CID 173041017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).