6-cyclopentyl-1-[4-(4,4-dimethylcyclohexyl)naphthalen-2-yl]isoquinoline

C32H35N — CID 156621924

IUPAC6-cyclopentyl-1-[4-(4,4-dimethylcyclohexyl)naphthalen-2-yl]isoquinoline
SMILESCC1(C)CCC(c2cc(-c3nccc4cc(C5CCCC5)ccc34)cc3ccccc23)CC1
InChIInChI=1S/C32H35N/c1-32(2)16-13-23(14-17-32)30-21-27(20-25-9-5-6-10-28(25)30)31-29-12-11-24(22-7-3-4-8-22)19-26(29)15-18-33-31/h5-6,9-12,15,18-23H,3-4,7-8,13-14,16-17H2,1-2H3
InChIKeyHVNXUFGROXWRNM-UHFFFAOYSA-N
MW433.64 g/mol
LogP9.40
Rot. Bonds3

About 6-cyclopentyl-1-[4-(4,4-dimethylcyclohexyl)naphthalen-2-yl]isoquinoline

6-cyclopentyl-1-[4-(4,4-dimethylcyclohexyl)naphthalen-2-yl]isoquinoline (PubChem CID 156621924) has the molecular formula C32H35N and a molecular weight of 433.64 g/mol. Its IUPAC name is 6-cyclopentyl-1-[4-(4,4-dimethylcyclohexyl)naphthalen-2-yl]isoquinoline.

Molecular Properties

Compound Name6-cyclopentyl-1-[4-(4,4-dimethylcyclohexyl)naphthalen-2-yl]isoquinoline
PubChem CID156621924
Molecular FormulaC32H35N
Molecular Weight433.64 g/mol
Exact Mass433.28
IUPAC Name6-cyclopentyl-1-[4-(4,4-dimethylcyclohexyl)naphthalen-2-yl]isoquinoline
SMILESCC1(C)CCC(c2cc(-c3nccc4cc(C5CCCC5)ccc34)cc3ccccc23)CC1
InChIInChI=1S/C32H35N/c1-32(2)16-13-23(14-17-32)30-21-27(20-25-9-5-6-10-28(25)30)31-29-12-11-24(22-7-3-4-8-22)19-26(29)15-18-33-31/h5-6,9-12,15,18-23H,3-4,7-8,13-14,16-17H2,1-2H3
InChIKeyHVNXUFGROXWRNM-UHFFFAOYSA-N
XLogP9.40
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.64
LogP ≤ 59.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(4-cyclohexylnaphthalen-2-yl)-16,16,19,19-tetramethyl-12-oxa-6-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15(20)-octaene
CID 170678502
2-(4-cyclohexylnaphthalen-2-yl)pyridine
CID 151672522
6-cyclopentyl-1-(5,5,6,6,7,7,8,8-octafluoronaphthalen-2-yl)isoquinoline
CID 165383651
1-(4-tert-butylnaphthalen-2-yl)-7-(4,4-dimethylcyclohexyl)-[1]benzofuro[2,3-c]pyridine
CID 168852909
1-(4-tert-butylnaphthalen-2-yl)-7-(4,4-dimethylcyclohexyl)benzo[h]isoquinoline
CID 156667190
[3-cyclohexyl-5-(6-cyclopentylisoquinolin-1-yl)phenyl]methanamine
CID 175320635
1-chloro-6-(3,3-dimethylcyclopentyl)isoquinoline
CID 171430158
5-cyclohexyl-3-phenylisoquinoline;6-cyclohexyl-1-phenylisoquinoline;7-cyclohexyl-1-phenylisoquinoline;4-(4,4-dimethylcyclohexyl)-2-phenylquinoline;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);1-phenylisoquinoline;tris(2-phenyl-4-spiro[5.5]undecan-3-ylquinoline)
CID 160634490
1-cyclopentyl-3-methylnaphthalene
CID 153311987
3-tert-butyl-7-(4-cyclohexylnaphthalen-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine
CID 163843859
7-(4-cyclohexylphenyl)-1-phenylisoquinoline
CID 156674472
6-cyclopentyl-1-(5-methyl-1-benzofuran-7-yl)isoquinoline
CID 167258283

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-1-[4-(4,4-dimethylcyclohexyl)naphthalen-2-yl]isoquinoline?
The IUPAC name of 6-cyclopentyl-1-[4-(4,4-dimethylcyclohexyl)naphthalen-2-yl]isoquinoline (CID 156621924) is 6-cyclopentyl-1-[4-(4,4-dimethylcyclohexyl)naphthalen-2-yl]isoquinoline.
What is the SMILES notation for 6-cyclopentyl-1-[4-(4,4-dimethylcyclohexyl)naphthalen-2-yl]isoquinoline?
The canonical SMILES for 6-cyclopentyl-1-[4-(4,4-dimethylcyclohexyl)naphthalen-2-yl]isoquinoline is CC1(C)CCC(c2cc(-c3nccc4cc(C5CCCC5)ccc34)cc3ccccc23)CC1.
What is the InChIKey of 6-cyclopentyl-1-[4-(4,4-dimethylcyclohexyl)naphthalen-2-yl]isoquinoline?
The InChIKey is HVNXUFGROXWRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N/c1-32(2)16-13-23(14-17-32)30-21-27(20-25-9-5-6-10-28(25)30)31-29-12-11-24(22-7-3-4-8-22)19-26(29)15-18-33-31/h5-6,9-12,15,18-23H,3-4,7-8,13-14,16-17H2,1-2H3.
What are the key properties of 6-cyclopentyl-1-[4-(4,4-dimethylcyclohexyl)naphthalen-2-yl]isoquinoline?
6-cyclopentyl-1-[4-(4,4-dimethylcyclohexyl)naphthalen-2-yl]isoquinoline has a molecular weight of 433.64 g/mol, XLogP of 9.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-1-[4-(4,4-dimethylcyclohexyl)naphthalen-2-yl]isoquinoline is sourced from PubChem (CID 156621924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).