1-(3,5-dimethylphenyl)-8-(3,3,5,5-tetramethylcyclohexyl)naphtho[2,1-f]isoquinoline

C35H37N — CID 166015667

IUPAC1-(3,5-dimethylphenyl)-8-(3,3,5,5-tetramethylcyclohexyl)naphtho[2,1-f]isoquinoline
SMILESCc1cc(C)cc(-c2nccc3c2ccc2c4ccc(C5CC(C)(C)CC(C)(C)C5)cc4ccc32)c1
InChIInChI=1S/C35H37N/c1-22-15-23(2)17-26(16-22)33-32-12-11-29-28-9-7-24(27-19-34(3,4)21-35(5,6)20-27)18-25(28)8-10-30(29)31(32)13-14-36-33/h7-18,27H,19-21H2,1-6H3
InChIKeyJENZZXCEAAZISL-UHFFFAOYSA-N
MW471.69 g/mol
LogP10.14
Rot. Bonds2

About 1-(3,5-dimethylphenyl)-8-(3,3,5,5-tetramethylcyclohexyl)naphtho[2,1-f]isoquinoline

1-(3,5-dimethylphenyl)-8-(3,3,5,5-tetramethylcyclohexyl)naphtho[2,1-f]isoquinoline (PubChem CID 166015667) has the molecular formula C35H37N and a molecular weight of 471.69 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-8-(3,3,5,5-tetramethylcyclohexyl)naphtho[2,1-f]isoquinoline.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-8-(3,3,5,5-tetramethylcyclohexyl)naphtho[2,1-f]isoquinoline
PubChem CID166015667
Molecular FormulaC35H37N
Molecular Weight471.69 g/mol
Exact Mass471.29
IUPAC Name1-(3,5-dimethylphenyl)-8-(3,3,5,5-tetramethylcyclohexyl)naphtho[2,1-f]isoquinoline
SMILESCc1cc(C)cc(-c2nccc3c2ccc2c4ccc(C5CC(C)(C)CC(C)(C)C5)cc4ccc32)c1
InChIInChI=1S/C35H37N/c1-22-15-23(2)17-26(16-22)33-32-12-11-29-28-9-7-24(27-19-34(3,4)21-35(5,6)20-27)18-25(28)8-10-30(29)31(32)13-14-36-33/h7-18,27H,19-21H2,1-6H3
InChIKeyJENZZXCEAAZISL-UHFFFAOYSA-N
XLogP10.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.69
LogP ≤ 510.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-(3,5-dimethylphenyl)benzo[f]isoquinolin-8-amine
CID 171576489
8-tert-butyl-4-(3,5-dimethylphenyl)benzo[f]isoquinoline
CID 155619475
4-(3,5-dimethylphenyl)-8,9-dimethylbenzo[f]isoquinoline
CID 159366512
4-(3,5-dimethylphenyl)-8-(trifluoromethyl)benzo[f]isoquinoline
CID 154589438
(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;1-(3,5-dimethylbenzene-6-id-1-yl)-8-(3,3,5,5-tetramethylcyclohexyl)naphtho[2,1-f]isoquinoline;iridium
CID 166015666
4-(3,5-dimethylphenyl)-8-(2,2-dimethylpropyl)benzo[f]isoquinoline
CID 156787409
6-(3,3-dimethylcyclopentyl)-1-(3,5-dimethylphenyl)-3-methylisoquinoline
CID 170222364
1-(3,5-dimethylphenyl)-6-[tris(4,4-dimethylcyclohexyl)methyl]isoquinoline
CID 172542903
4-(3,5-dimethylphenyl)-9-ethylbenzo[f]isoquinoline
CID 158944729
4-(3,5-dimethylphenyl)-8-(2,2-dimethylpropoxy)benzo[f]isoquinoline
CID 166015696
8-methyl-1-(3-methylphenyl)naphtho[2,1-f]isoquinoline
CID 118595089
8-methyl-1-phenylnaphtho[2,1-f]isoquinoline
CID 118595090

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-8-(3,3,5,5-tetramethylcyclohexyl)naphtho[2,1-f]isoquinoline?
The IUPAC name of 1-(3,5-dimethylphenyl)-8-(3,3,5,5-tetramethylcyclohexyl)naphtho[2,1-f]isoquinoline (CID 166015667) is 1-(3,5-dimethylphenyl)-8-(3,3,5,5-tetramethylcyclohexyl)naphtho[2,1-f]isoquinoline.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-8-(3,3,5,5-tetramethylcyclohexyl)naphtho[2,1-f]isoquinoline?
The canonical SMILES for 1-(3,5-dimethylphenyl)-8-(3,3,5,5-tetramethylcyclohexyl)naphtho[2,1-f]isoquinoline is Cc1cc(C)cc(-c2nccc3c2ccc2c4ccc(C5CC(C)(C)CC(C)(C)C5)cc4ccc32)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-8-(3,3,5,5-tetramethylcyclohexyl)naphtho[2,1-f]isoquinoline?
The InChIKey is JENZZXCEAAZISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37N/c1-22-15-23(2)17-26(16-22)33-32-12-11-29-28-9-7-24(27-19-34(3,4)21-35(5,6)20-27)18-25(28)8-10-30(29)31(32)13-14-36-33/h7-18,27H,19-21H2,1-6H3.
What are the key properties of 1-(3,5-dimethylphenyl)-8-(3,3,5,5-tetramethylcyclohexyl)naphtho[2,1-f]isoquinoline?
1-(3,5-dimethylphenyl)-8-(3,3,5,5-tetramethylcyclohexyl)naphtho[2,1-f]isoquinoline has a molecular weight of 471.69 g/mol, XLogP of 10.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-8-(3,3,5,5-tetramethylcyclohexyl)naphtho[2,1-f]isoquinoline is sourced from PubChem (CID 166015667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).