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

C27H26 — CID 173040978

IUPAC1-[2-(1H-inden-1-yl)propan-2-yl]-2,4-dimethyl-4H-cyclopenta[b]naphthalene
SMILESCC1=C(C(C)(C)C2C=Cc3ccccc32)C2=Cc3ccccc3C(C)C2=C1
InChIInChI=1S/C27H26/c1-17-15-23-18(2)21-11-7-6-10-20(21)16-24(23)26(17)27(3,4)25-14-13-19-9-5-8-12-22(19)25/h5-16,18,25H,1-4H3
InChIKeyJRMFGWXFGXATMO-UHFFFAOYSA-N
MW350.50 g/mol
LogP7.28
Rot. Bonds2

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

1-[2-(1H-inden-1-yl)propan-2-yl]-2,4-dimethyl-4H-cyclopenta[b]naphthalene (PubChem CID 173040978) has the molecular formula C27H26 and a molecular weight of 350.50 g/mol. Its IUPAC name is 1-[2-(1H-inden-1-yl)propan-2-yl]-2,4-dimethyl-4H-cyclopenta[b]naphthalene.

Molecular Properties

Compound Name1-[2-(1H-inden-1-yl)propan-2-yl]-2,4-dimethyl-4H-cyclopenta[b]naphthalene
PubChem CID173040978
Molecular FormulaC27H26
Molecular Weight350.50 g/mol
Exact Mass350.20
IUPAC Name1-[2-(1H-inden-1-yl)propan-2-yl]-2,4-dimethyl-4H-cyclopenta[b]naphthalene
SMILESCC1=C(C(C)(C)C2C=Cc3ccccc32)C2=Cc3ccccc3C(C)C2=C1
InChIInChI=1S/C27H26/c1-17-15-23-18(2)21-11-7-6-10-20(21)16-24(23)26(17)27(3,4)25-14-13-19-9-5-8-12-22(19)25/h5-16,18,25H,1-4H3
InChIKeyJRMFGWXFGXATMO-UHFFFAOYSA-N
XLogP7.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.50
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[2-(2,4-dimethyl-4H-cyclopenta[b]naphthalen-1-yl)propan-2-yl]-2,4-dimethyl-4H-cyclopenta[b]naphthalene
CID 90755203
1-(2-fluoropropan-2-yl)-1H-indene
CID 139709792
1-[tris(1H-inden-1-yl)methyl]-1H-indene
CID 57113891
1-[2-(1,4,5,6-tetrahydropentalen-2-yl)propan-2-yl]-1H-indene
CID 23282026
1-(1H-inden-2-ylmethyl)-2,4-dimethyl-4H-cyclopenta[b]naphthalene
CID 91237099
(2,4-dimethyl-4H-cyclopenta[b]naphthalen-1-yl)-(1H-inden-2-yl)-dimethylsilane
CID 67039953
1-methyl-2-(2-methylphenyl)-1H-indene
CID 140997796
1-[2-(1H-inden-1-yl)propan-2-yl]-9H-fluorene
CID 22259766
2-(3,5-ditert-butylphenyl)-1-methyl-1H-indene
CID 18406157
2-methyl-3-[2-(2-methyl-1H-inden-1-yl)propan-2-yl]-9H-cyclopenta[b]naphthalene
CID 173041009
1-(1-cyclopenta-2,4-dien-1-yl-1-phenylethyl)-1H-indene
CID 139709796
2,2-bis(1H-inden-1-yl)propane-1,3-dithiol
CID 151956943

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-inden-1-yl)propan-2-yl]-2,4-dimethyl-4H-cyclopenta[b]naphthalene?
The IUPAC name of 1-[2-(1H-inden-1-yl)propan-2-yl]-2,4-dimethyl-4H-cyclopenta[b]naphthalene (CID 173040978) is 1-[2-(1H-inden-1-yl)propan-2-yl]-2,4-dimethyl-4H-cyclopenta[b]naphthalene.
What is the SMILES notation for 1-[2-(1H-inden-1-yl)propan-2-yl]-2,4-dimethyl-4H-cyclopenta[b]naphthalene?
The canonical SMILES for 1-[2-(1H-inden-1-yl)propan-2-yl]-2,4-dimethyl-4H-cyclopenta[b]naphthalene is CC1=C(C(C)(C)C2C=Cc3ccccc32)C2=Cc3ccccc3C(C)C2=C1.
What is the InChIKey of 1-[2-(1H-inden-1-yl)propan-2-yl]-2,4-dimethyl-4H-cyclopenta[b]naphthalene?
The InChIKey is JRMFGWXFGXATMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26/c1-17-15-23-18(2)21-11-7-6-10-20(21)16-24(23)26(17)27(3,4)25-14-13-19-9-5-8-12-22(19)25/h5-16,18,25H,1-4H3.
What are the key properties of 1-[2-(1H-inden-1-yl)propan-2-yl]-2,4-dimethyl-4H-cyclopenta[b]naphthalene?
1-[2-(1H-inden-1-yl)propan-2-yl]-2,4-dimethyl-4H-cyclopenta[b]naphthalene has a molecular weight of 350.50 g/mol, XLogP of 7.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-inden-1-yl)propan-2-yl]-2,4-dimethyl-4H-cyclopenta[b]naphthalene is sourced from PubChem (CID 173040978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).