9-[1-(1,4-dimethylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-5-yl]carbazole

C34H27N2+ — CID 171458919

IUPAC9-[1-(1,4-dimethylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-5-yl]carbazole
SMILESCc1cc(-c2c3cccc(-n4c5ccccc5c5ccccc54)c3cc[n+]2C)c(C)c2ccccc12
InChIInChI=1S/C34H27N2/c1-22-21-30(23(2)25-12-5-4-11-24(22)25)34-29-15-10-18-33(28(29)19-20-35(34)3)36-31-16-8-6-13-26(31)27-14-7-9-17-32(27)36/h4-21H,1-3H3/q+1
InChIKeyQPBYJBYTWNVXKJ-UHFFFAOYSA-N
MW463.60 g/mol
LogP8.20
Rot. Bonds2

About 9-[1-(1,4-dimethylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-5-yl]carbazole

9-[1-(1,4-dimethylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-5-yl]carbazole (PubChem CID 171458919) has the molecular formula C34H27N2+ and a molecular weight of 463.60 g/mol. Its IUPAC name is 9-[1-(1,4-dimethylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-5-yl]carbazole.

Molecular Properties

Compound Name9-[1-(1,4-dimethylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-5-yl]carbazole
PubChem CID171458919
Molecular FormulaC34H27N2+
Molecular Weight463.60 g/mol
Exact Mass463.22
IUPAC Name9-[1-(1,4-dimethylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-5-yl]carbazole
SMILESCc1cc(-c2c3cccc(-n4c5ccccc5c5ccccc54)c3cc[n+]2C)c(C)c2ccccc12
InChIInChI=1S/C34H27N2/c1-22-21-30(23(2)25-12-5-4-11-24(22)25)34-29-15-10-18-33(28(29)19-20-35(34)3)36-31-16-8-6-13-26(31)27-14-7-9-17-32(27)36/h4-21H,1-3H3/q+1
InChIKeyQPBYJBYTWNVXKJ-UHFFFAOYSA-N
XLogP8.20
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.60
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-5-yl]carbazole
CID 171459011
4-(4-tert-butyl-1-methylnaphthalen-2-yl)-7-(2-fluorocarbazol-9-yl)-3-methylbenzo[f]isoquinolin-3-ium
CID 171459459
9-[1-(1,4-dimethylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-7-yl]carbazole
CID 171459062
8-carbazol-9-yl-2-methyl-1-(2,3,5-trimethylphenyl)-[1]benzothiolo[2,3-c]pyridin-2-ium
CID 171459330
1-(4-tert-butyl-1-methylnaphthalen-2-yl)-6-carbazol-9-yl-2-methyl-[1]benzofuro[3,2-c]pyridin-2-ium
CID 171459238
8-carbazol-9-yl-2-methyl-1-(1-methylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-2-ium
CID 171459094
5-carbazol-9-yl-2-methyl-1-(2-methylphenyl)-[1]benzothiolo[2,3-c]pyridin-2-ium
CID 171459265
3-methyl-4-(3-methyl-1-benzofuran-2-yl)-7-pyrido[2,3-b]indol-9-ylbenzo[f]isoquinolin-3-ium
CID 171459000
4-(4-tert-butyl-1-methylnaphthalen-2-yl)-8-[3-(2,2-dimethylpropyl)carbazol-9-yl]-3-methylbenzo[f]isoquinolin-3-ium
CID 171459458
4-(4-tert-butyl-1-methylnaphthalen-2-yl)-8-[4-(2,2-dimethylpropyl)carbazol-9-yl]-3-methylbenzo[f]isoquinolin-3-ium
CID 171459317
9-[2-methyl-3-(2-methylphenyl)phenyl]carbazole
CID 67374081
8-carbazol-9-yl-2-methyl-1-(3-methyl-1-benzotellurophen-2-yl)-[1]benzothiolo[2,3-c]pyridin-2-ium
CID 171459053

Frequently Asked Questions

What is the IUPAC name of 9-[1-(1,4-dimethylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-5-yl]carbazole?
The IUPAC name of 9-[1-(1,4-dimethylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-5-yl]carbazole (CID 171458919) is 9-[1-(1,4-dimethylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-5-yl]carbazole.
What is the SMILES notation for 9-[1-(1,4-dimethylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-5-yl]carbazole?
The canonical SMILES for 9-[1-(1,4-dimethylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-5-yl]carbazole is Cc1cc(-c2c3cccc(-n4c5ccccc5c5ccccc54)c3cc[n+]2C)c(C)c2ccccc12.
What is the InChIKey of 9-[1-(1,4-dimethylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-5-yl]carbazole?
The InChIKey is QPBYJBYTWNVXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27N2/c1-22-21-30(23(2)25-12-5-4-11-24(22)25)34-29-15-10-18-33(28(29)19-20-35(34)3)36-31-16-8-6-13-26(31)27-14-7-9-17-32(27)36/h4-21H,1-3H3/q+1.
What are the key properties of 9-[1-(1,4-dimethylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-5-yl]carbazole?
9-[1-(1,4-dimethylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-5-yl]carbazole has a molecular weight of 463.60 g/mol, XLogP of 8.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-(1,4-dimethylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-5-yl]carbazole is sourced from PubChem (CID 171458919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).