4-methyl-5-(1-methylcarbazol-9-yl)-4-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene

C33H25N2+ — CID 176845178

IUPAC4-methyl-5-(1-methylcarbazol-9-yl)-4-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene
SMILESCc1cccc2c3ccccc3n(-c3cc4c(c[n+]3C)C3c5ccccc5C4c4ccccc43)c12
InChIInChI=1S/C33H25N2/c1-20-10-9-16-26-21-11-7-8-17-29(21)35(33(20)26)30-18-27-28(19-34(30)2)32-24-14-5-3-12-22(24)31(27)23-13-4-6-15-25(23)32/h3-19,31-32H,1-2H3/q+1
InChIKeyPRMOGNFHQWPILI-UHFFFAOYSA-N
MW449.58 g/mol
LogP6.90
Rot. Bonds1

About 4-methyl-5-(1-methylcarbazol-9-yl)-4-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene

4-methyl-5-(1-methylcarbazol-9-yl)-4-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene (PubChem CID 176845178) has the molecular formula C33H25N2+ and a molecular weight of 449.58 g/mol. Its IUPAC name is 4-methyl-5-(1-methylcarbazol-9-yl)-4-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene.

Molecular Properties

Compound Name4-methyl-5-(1-methylcarbazol-9-yl)-4-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene
PubChem CID176845178
Molecular FormulaC33H25N2+
Molecular Weight449.58 g/mol
Exact Mass449.20
IUPAC Name4-methyl-5-(1-methylcarbazol-9-yl)-4-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene
SMILESCc1cccc2c3ccccc3n(-c3cc4c(c[n+]3C)C3c5ccccc5C4c4ccccc43)c12
InChIInChI=1S/C33H25N2/c1-20-10-9-16-26-21-11-7-8-17-29(21)35(33(20)26)30-18-27-28(19-34(30)2)32-24-14-5-3-12-22(24)31(27)23-13-4-6-15-25(23)32/h3-19,31-32H,1-2H3/q+1
InChIKeyPRMOGNFHQWPILI-UHFFFAOYSA-N
XLogP6.90
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.58
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-methyl-5-(1-methylcarbazol-9-yl)-4-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene with MolForge

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Related Compounds

11-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-9-methyl-11-azaheptacyclo[13.6.6.02,14.04,12.05,10.016,21.022,27]heptacosa-2(14),3,5,7,9,12,16,18,20,22,24,26-dodecaene
CID 176845147
1-methyl-9-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)carbazole
CID 140705700
1-methyl-9-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]carbazole
CID 155616142
9-[4-(2,6-dimethylphenyl)-1,5-dimethylpyridin-1-ium-2-yl]-1-methylcarbazole;9-[5-(2,6-dimethylphenyl)-1,4-dimethylpyridin-1-ium-2-yl]-1-methylcarbazole;9-[4-[2,6-di(propan-2-yl)phenyl]-1,5-dimethylpyridin-1-ium-2-yl]-1-methylcarbazole
CID 158431142
1-methyl-2-(1-methylcarbazol-9-yl)-9-(1-methylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-1-ium
CID 177263811
9-[4,6-bis(1-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-methylcarbazole
CID 23399530
9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;ethane;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole
CID 160817149
9-iodo-1-methylcarbazole
CID 134316149
6-methyl-4-(1-methylpyridin-1-ium-2-yl)-1,4-diazanonacyclo[25.10.1.02,14.03,11.05,10.015,20.021,26.031,38.032,37]octatriaconta-3(11),5,7,9,12,15,17,19,21,23,25,27,29,31(38),32,34,36-heptadecaene
CID 168811558
9-[1,5-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-1,3-dimethylcarbazol-2-ol
CID 160527495
10-methyl-12-(1-methylpyridin-1-ium-2-yl)-1,12-diazanonacyclo[25.10.1.02,14.05,13.06,11.015,20.021,26.031,38.032,37]octatriaconta-3,5(13),6,8,10,15,17,19,21,23,25,27,29,31(38),32,34,36-heptadecaene
CID 168811504
6-methyl-5,7-bis(1-methylpyridin-1-ium-2-yl)indolo[2,3-b]carbazole
CID 177263990

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(1-methylcarbazol-9-yl)-4-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene?
The IUPAC name of 4-methyl-5-(1-methylcarbazol-9-yl)-4-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene (CID 176845178) is 4-methyl-5-(1-methylcarbazol-9-yl)-4-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene.
What is the SMILES notation for 4-methyl-5-(1-methylcarbazol-9-yl)-4-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene?
The canonical SMILES for 4-methyl-5-(1-methylcarbazol-9-yl)-4-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene is Cc1cccc2c3ccccc3n(-c3cc4c(c[n+]3C)C3c5ccccc5C4c4ccccc43)c12.
What is the InChIKey of 4-methyl-5-(1-methylcarbazol-9-yl)-4-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene?
The InChIKey is PRMOGNFHQWPILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N2/c1-20-10-9-16-26-21-11-7-8-17-29(21)35(33(20)26)30-18-27-28(19-34(30)2)32-24-14-5-3-12-22(24)31(27)23-13-4-6-15-25(23)32/h3-19,31-32H,1-2H3/q+1.
What are the key properties of 4-methyl-5-(1-methylcarbazol-9-yl)-4-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene?
4-methyl-5-(1-methylcarbazol-9-yl)-4-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene has a molecular weight of 449.58 g/mol, XLogP of 6.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(1-methylcarbazol-9-yl)-4-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene is sourced from PubChem (CID 176845178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).