1-(1H-inden-2-ylmethyl)-2,4-dimethyl-4H-cyclopenta[b]naphthalene

C25H22 — CID 91237099

IUPAC1-(1H-inden-2-ylmethyl)-2,4-dimethyl-4H-cyclopenta[b]naphthalene
SMILESCC1=C(CC2=Cc3ccccc3C2)C2=Cc3ccccc3C(C)C2=C1
InChIInChI=1S/C25H22/c1-16-11-24-17(2)22-10-6-5-9-21(22)15-25(24)23(16)14-18-12-19-7-3-4-8-20(19)13-18/h3-12,15,17H,13-14H2,1-2H3
InChIKeyTVNNKGQDBWRUCG-UHFFFAOYSA-N
MW322.45 g/mol
LogP6.47
Rot. Bonds2

About 1-(1H-inden-2-ylmethyl)-2,4-dimethyl-4H-cyclopenta[b]naphthalene

1-(1H-inden-2-ylmethyl)-2,4-dimethyl-4H-cyclopenta[b]naphthalene (PubChem CID 91237099) has the molecular formula C25H22 and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-(1H-inden-2-ylmethyl)-2,4-dimethyl-4H-cyclopenta[b]naphthalene.

Molecular Properties

Compound Name1-(1H-inden-2-ylmethyl)-2,4-dimethyl-4H-cyclopenta[b]naphthalene
PubChem CID91237099
Molecular FormulaC25H22
Molecular Weight322.45 g/mol
Exact Mass322.17
IUPAC Name1-(1H-inden-2-ylmethyl)-2,4-dimethyl-4H-cyclopenta[b]naphthalene
SMILESCC1=C(CC2=Cc3ccccc3C2)C2=Cc3ccccc3C(C)C2=C1
InChIInChI=1S/C25H22/c1-16-11-24-17(2)22-10-6-5-9-21(22)15-25(24)23(16)14-18-12-19-7-3-4-8-20(19)13-18/h3-12,15,17H,13-14H2,1-2H3
InChIKeyTVNNKGQDBWRUCG-UHFFFAOYSA-N
XLogP6.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.45
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 9161
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Cyclohexylbenzene
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2-Benzyltoluene
CID 69738
2-Methylbiphenyl
CID 12563
Benzene, 1,2-dimethyl-4-(1-phenylethyl)-
CID 22570
Isopropylbiphenyl
CID 20259910
1,1'-(1,1-Dimethyl-3-methylene-1,3-propanediyl)bisbenzene
CID 80715
1-(1-Methylethyl)naphthalene
CID 22535

Frequently Asked Questions

What is the IUPAC name of 1-(1H-inden-2-ylmethyl)-2,4-dimethyl-4H-cyclopenta[b]naphthalene?
The IUPAC name of 1-(1H-inden-2-ylmethyl)-2,4-dimethyl-4H-cyclopenta[b]naphthalene (CID 91237099) is 1-(1H-inden-2-ylmethyl)-2,4-dimethyl-4H-cyclopenta[b]naphthalene.
What is the SMILES notation for 1-(1H-inden-2-ylmethyl)-2,4-dimethyl-4H-cyclopenta[b]naphthalene?
The canonical SMILES for 1-(1H-inden-2-ylmethyl)-2,4-dimethyl-4H-cyclopenta[b]naphthalene is CC1=C(CC2=Cc3ccccc3C2)C2=Cc3ccccc3C(C)C2=C1.
What is the InChIKey of 1-(1H-inden-2-ylmethyl)-2,4-dimethyl-4H-cyclopenta[b]naphthalene?
The InChIKey is TVNNKGQDBWRUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22/c1-16-11-24-17(2)22-10-6-5-9-21(22)15-25(24)23(16)14-18-12-19-7-3-4-8-20(19)13-18/h3-12,15,17H,13-14H2,1-2H3.
What are the key properties of 1-(1H-inden-2-ylmethyl)-2,4-dimethyl-4H-cyclopenta[b]naphthalene?
1-(1H-inden-2-ylmethyl)-2,4-dimethyl-4H-cyclopenta[b]naphthalene has a molecular weight of 322.45 g/mol, XLogP of 6.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-inden-2-ylmethyl)-2,4-dimethyl-4H-cyclopenta[b]naphthalene is sourced from PubChem (CID 91237099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).