10-carbazol-9-yl-13-(3,5-diphenylphenyl)-1,16-diaza-13-azoniapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12,14(19),15,17-nonaene

C47H31N4+ — CID 123774626

IUPAC10-carbazol-9-yl-13-(3,5-diphenylphenyl)-1,16-diaza-13-azoniapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12,14(19),15,17-nonaene
SMILESC1=C2c3ccccc3N3c4ccncc4[N+](c4cc(-c5ccccc5)cc(-c5ccccc5)c4)=C(C=C1n1c4ccccc4c4ccccc41)C23
InChIInChI=1S/C47H31N4/c1-3-13-31(14-4-1)33-25-34(32-15-5-2-6-16-32)27-35(26-33)50-45-29-36(49-41-20-10-7-17-37(41)38-18-8-11-21-42(38)49)28-40-39-19-9-12-22-43(39)51(47(40)45)44-23-24-48-30-46(44)50/h1-30,47H/q+1
InChIKeyTWKWNVNMSAWQRP-UHFFFAOYSA-N
MW651.79 g/mol
LogP11.27
Rot. Bonds4

About 10-carbazol-9-yl-13-(3,5-diphenylphenyl)-1,16-diaza-13-azoniapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12,14(19),15,17-nonaene

10-carbazol-9-yl-13-(3,5-diphenylphenyl)-1,16-diaza-13-azoniapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12,14(19),15,17-nonaene (PubChem CID 123774626) has the molecular formula C47H31N4+ and a molecular weight of 651.79 g/mol. Its IUPAC name is 10-carbazol-9-yl-13-(3,5-diphenylphenyl)-1,16-diaza-13-azoniapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12,14(19),15,17-nonaene.

Molecular Properties

Compound Name10-carbazol-9-yl-13-(3,5-diphenylphenyl)-1,16-diaza-13-azoniapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12,14(19),15,17-nonaene
PubChem CID123774626
Molecular FormulaC47H31N4+
Molecular Weight651.79 g/mol
Exact Mass651.25
IUPAC Name10-carbazol-9-yl-13-(3,5-diphenylphenyl)-1,16-diaza-13-azoniapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12,14(19),15,17-nonaene
SMILESC1=C2c3ccccc3N3c4ccncc4[N+](c4cc(-c5ccccc5)cc(-c5ccccc5)c4)=C(C=C1n1c4ccccc4c4ccccc41)C23
InChIInChI=1S/C47H31N4/c1-3-13-31(14-4-1)33-25-34(32-15-5-2-6-16-32)27-35(26-33)50-45-29-36(49-41-20-10-7-17-37(41)38-18-8-11-21-42(38)49)28-40-39-19-9-12-22-43(39)51(47(40)45)44-23-24-48-30-46(44)50/h1-30,47H/q+1
InChIKeyTWKWNVNMSAWQRP-UHFFFAOYSA-N
XLogP11.27
TPSA24.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.79
LogP ≤ 511.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 10-carbazol-9-yl-13-(3,5-diphenylphenyl)-1,16-diaza-13-azoniapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12,14(19),15,17-nonaene 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

9-(4-phenyl-3-pyridinyl)carbazole
CID 145009934
5-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]pyrido[4,3-b]indole
CID 176634765
11-[2-(3,5-diphenylphenyl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
CID 175627738
3-[9-(4,4a-dihydrodibenzothiophen-2-yl)carbazol-3-yl]-9-(3-phenyl-5-pyridin-3-ylphenyl)carbazole
CID 129260453
11-phenyl-22-(9-phenylcarbazol-3-yl)-11,15-diaza-22-azoniaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(26),2(14),3,5,7,9,12,16,18,20,22,24-dodecaene
CID 123834691
9-[4-[2-(4-phenylphenyl)-6-[4-[4-[3-[6-phenyl-4-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)phenyl]-2-pyridinyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]pyrido[3,4-b]indole
CID 163966802
5-[3-(3,5-diphenylphenyl)-5-methylphenyl]pyrido[4,3-b]indole
CID 143691808
9-[2-carbazol-9-yl-6-[4-[6-[3-[4-[4-[2,3-di(carbazol-9-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3-pyridinyl]-6-pyridin-3-yl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 167192804
9-(3,5-diphenylphenyl)carbazole
CID 86068368
17-(3-naphthalen-1-yl-5-phenylphenyl)-14,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 130355687
1,3-bis(3,5-diphenylphenyl)-9-phenylcarbazole
CID 160788442
9-[2-[3-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]phenyl]carbazole
CID 168801567

Frequently Asked Questions

What is the IUPAC name of 10-carbazol-9-yl-13-(3,5-diphenylphenyl)-1,16-diaza-13-azoniapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12,14(19),15,17-nonaene?
The IUPAC name of 10-carbazol-9-yl-13-(3,5-diphenylphenyl)-1,16-diaza-13-azoniapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12,14(19),15,17-nonaene (CID 123774626) is 10-carbazol-9-yl-13-(3,5-diphenylphenyl)-1,16-diaza-13-azoniapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12,14(19),15,17-nonaene.
What is the SMILES notation for 10-carbazol-9-yl-13-(3,5-diphenylphenyl)-1,16-diaza-13-azoniapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12,14(19),15,17-nonaene?
The canonical SMILES for 10-carbazol-9-yl-13-(3,5-diphenylphenyl)-1,16-diaza-13-azoniapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12,14(19),15,17-nonaene is C1=C2c3ccccc3N3c4ccncc4[N+](c4cc(-c5ccccc5)cc(-c5ccccc5)c4)=C(C=C1n1c4ccccc4c4ccccc41)C23.
What is the InChIKey of 10-carbazol-9-yl-13-(3,5-diphenylphenyl)-1,16-diaza-13-azoniapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12,14(19),15,17-nonaene?
The InChIKey is TWKWNVNMSAWQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N4/c1-3-13-31(14-4-1)33-25-34(32-15-5-2-6-16-32)27-35(26-33)50-45-29-36(49-41-20-10-7-17-37(41)38-18-8-11-21-42(38)49)28-40-39-19-9-12-22-43(39)51(47(40)45)44-23-24-48-30-46(44)50/h1-30,47H/q+1.
What are the key properties of 10-carbazol-9-yl-13-(3,5-diphenylphenyl)-1,16-diaza-13-azoniapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12,14(19),15,17-nonaene?
10-carbazol-9-yl-13-(3,5-diphenylphenyl)-1,16-diaza-13-azoniapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12,14(19),15,17-nonaene has a molecular weight of 651.79 g/mol, XLogP of 11.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-carbazol-9-yl-13-(3,5-diphenylphenyl)-1,16-diaza-13-azoniapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12,14(19),15,17-nonaene is sourced from PubChem (CID 123774626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).