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

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Related Compounds

3-(9H-fluoren-9-ylmethyl)-2-methyl-9H-cyclopenta[b]naphthalene
CID 90973968
1-(1H-inden-2-ylmethyl)-1H-indene
CID 87862084
2-methyl-3-[2-(2-methyl-1H-inden-1-yl)ethyl]-9H-cyclopenta[b]naphthalene
CID 173041017
7-(1H-inden-1-ylmethyl)-4,6-dimethyl-8aH-cyclopenta[f][1]benzothiole
CID 87245490
1-[2-(1H-inden-2-yl)ethyl]-1H-indene
CID 10912206
1-[[2-(1H-inden-1-ylmethyl)-4,5-dimethylphenyl]methyl]-1H-indene
CID 167430736
2-methyl-3-[2-(2-methyl-1H-inden-1-yl)propan-2-yl]-9H-cyclopenta[b]naphthalene
CID 173041009
1-(1H-inden-2-ylmethyl)-2,4-dimethyl-4H-cyclopenta[b]naphthalene
CID 91237099
1-(cyclopenta-1,3-dien-1-ylmethyl)-1H-indene
CID 21188895
7-[2-(1H-inden-1-yl)ethyl]-2,3,6-trimethyl-8aH-cyclopenta[f][1]benzothiole
CID 87245987
2-bromo-7-[2-(1H-inden-1-yl)ethyl]-4,6-dimethyl-8aH-cyclopenta[f][1]benzothiole
CID 87245571
2-(1H-inden-1-yl)ethanol
CID 23288751

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).