1-cyclohexyl-2-methyl-3-(2-methyl-1H-inden-1-yl)naphthalene

C27H28 — CID 87492929

IUPAC1-cyclohexyl-2-methyl-3-(2-methyl-1H-inden-1-yl)naphthalene
SMILESCC1=Cc2ccccc2C1c1cc2ccccc2c(C2CCCCC2)c1C
InChIInChI=1S/C27H28/c1-18-16-21-12-6-8-14-23(21)26(18)25-17-22-13-7-9-15-24(22)27(19(25)2)20-10-4-3-5-11-20/h6-9,12-17,20,26H,3-5,10-11H2,1-2H3
InChIKeyIVESXFCFENESQT-UHFFFAOYSA-N
MW352.52 g/mol
LogP7.74
Rot. Bonds2

About 1-cyclohexyl-2-methyl-3-(2-methyl-1H-inden-1-yl)naphthalene

1-cyclohexyl-2-methyl-3-(2-methyl-1H-inden-1-yl)naphthalene (PubChem CID 87492929) has the molecular formula C27H28 and a molecular weight of 352.52 g/mol. Its IUPAC name is 1-cyclohexyl-2-methyl-3-(2-methyl-1H-inden-1-yl)naphthalene.

Molecular Properties

Compound Name1-cyclohexyl-2-methyl-3-(2-methyl-1H-inden-1-yl)naphthalene
PubChem CID87492929
Molecular FormulaC27H28
Molecular Weight352.52 g/mol
Exact Mass352.22
IUPAC Name1-cyclohexyl-2-methyl-3-(2-methyl-1H-inden-1-yl)naphthalene
SMILESCC1=Cc2ccccc2C1c1cc2ccccc2c(C2CCCCC2)c1C
InChIInChI=1S/C27H28/c1-18-16-21-12-6-8-14-23(21)26(18)25-17-22-13-7-9-15-24(22)27(19(25)2)20-10-4-3-5-11-20/h6-9,12-17,20,26H,3-5,10-11H2,1-2H3
InChIKeyIVESXFCFENESQT-UHFFFAOYSA-N
XLogP7.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.52
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-(4-cyclohexyl-3-methylnaphthalen-2-yl)-9H-fluorene
CID 87492539
2-methyl-3-(2-methyl-1H-inden-1-yl)-1-(2,3,4-trimethylphenyl)naphthalene
CID 87557442
[3-(2-methyl-1H-inden-1-yl)-1-phenylnaphthalen-2-yl]methanimine
CID 87493467
3-(2-methyl-1H-inden-1-yl)naphthalene-2-carbaldehyde
CID 139946435
1-cyclohexyl-2-(1-methylcycloprop-2-en-1-yl)naphthalene
CID 163489570
4-cyclohexyl-2-methyl-1-[(2-methyl-1H-inden-1-yl)methyl]-1H-indene
CID 91157559
2-(2-methyl-1H-inden-1-yl)naphthalene-1-carbaldehyde
CID 139946468
1-cyclopentyl-3-methylnaphthalene
CID 153311987
2-[10-[4-(2-methyl-1H-inden-1-yl)phenyl]anthracen-9-yl]fluoranthene
CID 167712192
1-(2,6-dicyclohexylphenyl)anthracene
CID 141325859
2,2-dimethyl-1-[2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]propan-1-ol
CID 139951457
4-(9,10-dicyclohexylanthracen-2-yl)benzo[a]anthracene
CID 156676969

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-methyl-3-(2-methyl-1H-inden-1-yl)naphthalene?
The IUPAC name of 1-cyclohexyl-2-methyl-3-(2-methyl-1H-inden-1-yl)naphthalene (CID 87492929) is 1-cyclohexyl-2-methyl-3-(2-methyl-1H-inden-1-yl)naphthalene.
What is the SMILES notation for 1-cyclohexyl-2-methyl-3-(2-methyl-1H-inden-1-yl)naphthalene?
The canonical SMILES for 1-cyclohexyl-2-methyl-3-(2-methyl-1H-inden-1-yl)naphthalene is CC1=Cc2ccccc2C1c1cc2ccccc2c(C2CCCCC2)c1C.
What is the InChIKey of 1-cyclohexyl-2-methyl-3-(2-methyl-1H-inden-1-yl)naphthalene?
The InChIKey is IVESXFCFENESQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28/c1-18-16-21-12-6-8-14-23(21)26(18)25-17-22-13-7-9-15-24(22)27(19(25)2)20-10-4-3-5-11-20/h6-9,12-17,20,26H,3-5,10-11H2,1-2H3.
What are the key properties of 1-cyclohexyl-2-methyl-3-(2-methyl-1H-inden-1-yl)naphthalene?
1-cyclohexyl-2-methyl-3-(2-methyl-1H-inden-1-yl)naphthalene has a molecular weight of 352.52 g/mol, XLogP of 7.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-methyl-3-(2-methyl-1H-inden-1-yl)naphthalene is sourced from PubChem (CID 87492929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).