2-cyclopentyl-9-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]carbazole

C36H35N2+ — CID 171459340

IUPAC2-cyclopentyl-9-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]carbazole
SMILESCc1cc(C)c(C)c(-c2c3ccc(-n4c5ccccc5c5ccc(C6CCCC6)cc54)cc3cc[n+]2C)c1
InChIInChI=1S/C36H35N2/c1-23-19-24(2)25(3)33(20-23)36-30-16-14-29(21-28(30)17-18-37(36)4)38-34-12-8-7-11-31(34)32-15-13-27(22-35(32)38)26-9-5-6-10-26/h7-8,11-22,26H,5-6,9-10H2,1-4H3/q+1
InChIKeyDDBKNOYIKWOTDF-UHFFFAOYSA-N
MW495.69 g/mol
LogP9.01
Rot. Bonds3

About 2-cyclopentyl-9-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]carbazole

2-cyclopentyl-9-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]carbazole (PubChem CID 171459340) has the molecular formula C36H35N2+ and a molecular weight of 495.69 g/mol. Its IUPAC name is 2-cyclopentyl-9-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]carbazole.

Molecular Properties

Compound Name2-cyclopentyl-9-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]carbazole
PubChem CID171459340
Molecular FormulaC36H35N2+
Molecular Weight495.69 g/mol
Exact Mass495.28
IUPAC Name2-cyclopentyl-9-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]carbazole
SMILESCc1cc(C)c(C)c(-c2c3ccc(-n4c5ccccc5c5ccc(C6CCCC6)cc54)cc3cc[n+]2C)c1
InChIInChI=1S/C36H35N2/c1-23-19-24(2)25(3)33(20-23)36-30-16-14-29(21-28(30)17-18-37(36)4)38-34-12-8-7-11-31(34)32-15-13-27(22-35(32)38)26-9-5-6-10-26/h7-8,11-22,26H,5-6,9-10H2,1-4H3/q+1
InChIKeyDDBKNOYIKWOTDF-UHFFFAOYSA-N
XLogP9.01
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.69
LogP ≤ 59.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-cyclopentyl-9-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(cyclopentylmethyl)-9-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]carbazole
CID 171459002
2,7-bis(2-methylpropyl)-9-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]carbazole
CID 171458982
5-cyclopentyl-2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;6-cyclopentyl-2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;7-cyclopentyl-2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;2,3-dimethyl-1-(2-methylphenyl)isoquinolin-2-ium
CID 162226682
7-carbazol-9-yl-2-methyl-1-(2,3,5-trimethylphenyl)-[1]benzothiolo[2,3-c]pyridin-2-ium
CID 171459067
6-cyclohexyl-1-(5-cyclohexyl-2-methylphenyl)-2-methylisoquinolin-2-ium
CID 155638520
9-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-5-yl]carbazole
CID 171459011
9-[1-(1,4-dimethylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-7-yl]carbazole
CID 171459062
6-cyclohexyl-1-(5-cyclohexyl-2,3-dimethylphenyl)-2-methylisoquinolin-2-ium;6-cyclohexyl-1-(5-cyclohexyl-2-methylphenyl)-2-methylisoquinolin-2-ium;6-cyclohexyl-1-(3,5-dicyclohexyl-2-methylphenyl)-2-methylisoquinolin-2-ium;6-cyclohexyl-2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium
CID 159379464
6-cyclopentyl-1-(3,5-ditert-butyl-2-methylphenyl)-2-methylisoquinolin-2-ium
CID 155638889
[1-(5-cyclopentyl-2,3-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-cyclopropyl-dimethylsilane
CID 155638049
cyclopropyl-dimethyl-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]silane
CID 155637695
[9-[1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-6-yl]carbazol-1-yl]-trimethylgermane
CID 171459239

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-9-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]carbazole?
The IUPAC name of 2-cyclopentyl-9-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]carbazole (CID 171459340) is 2-cyclopentyl-9-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]carbazole.
What is the SMILES notation for 2-cyclopentyl-9-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]carbazole?
The canonical SMILES for 2-cyclopentyl-9-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]carbazole is Cc1cc(C)c(C)c(-c2c3ccc(-n4c5ccccc5c5ccc(C6CCCC6)cc54)cc3cc[n+]2C)c1.
What is the InChIKey of 2-cyclopentyl-9-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]carbazole?
The InChIKey is DDBKNOYIKWOTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35N2/c1-23-19-24(2)25(3)33(20-23)36-30-16-14-29(21-28(30)17-18-37(36)4)38-34-12-8-7-11-31(34)32-15-13-27(22-35(32)38)26-9-5-6-10-26/h7-8,11-22,26H,5-6,9-10H2,1-4H3/q+1.
What are the key properties of 2-cyclopentyl-9-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]carbazole?
2-cyclopentyl-9-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]carbazole has a molecular weight of 495.69 g/mol, XLogP of 9.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-9-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]carbazole is sourced from PubChem (CID 171459340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).