13-(4-carbazol-9-ylphenyl)-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;13-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;13-[3-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;13-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene

C186H118N14 — CID 159050294

About 13-(4-carbazol-9-ylphenyl)-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;13-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;13-[3-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;13-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene

13-(4-carbazol-9-ylphenyl)-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;13-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;13-[3-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;13-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene (PubChem CID 159050294) has the molecular formula C186H118N14 and a molecular weight of 2549.09 g/mol. Its IUPAC name is 13-(4-carbazol-9-ylphenyl)-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;13-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;13-[3-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;13-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene.

Molecular Properties

• Compound Name: 13-(4-carbazol-9-ylphenyl)-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;13-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;13-[3-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;13-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
• PubChem CID: 159050294
• Molecular Formula: C186H118N14
• Molecular Weight: 2549.09 g/mol
• Exact Mass: 2546.97
• IUPAC Name: 13-(4-carbazol-9-ylphenyl)-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;13-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;13-[3-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;13-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
• SMILES: c1ccc(-c2nc(-c3ccc(-c4nnc(-c5ccccc5)n4-c4ccccc4)cc3)c(-c3ccccc3)c3c2-c2cccc4cccc-3c24)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c(-c3ccccc3)c3c2-c2cccc4cccc-3c24)cc1.c1ccc(-c2nc(-c3cccc(-c4nnc(-c5ccccc5)n4-c4ccccc4)c3)c(-c3ccccc3)c3c2-c2cccc4cccc-3c24)cc1.c1ccc(-c2nc(-c3ccccc3-c3nnc(-c4ccccc4)n3-c3ccccc3)c(-c3ccccc3)c3c2-c2cccc4cccc-3c24)cc1
• InChI: InChI=1S/3C47H30N4.C45H28N2/c1-5-16-32(17-6-1)41-42-38-28-14-22-31-23-15-29-39(40(31)38)43(42)44(33-18-7-2-8-19-33)48-45(41)35-24-13-25-36(30-35)47-50-49-46(34-20-9-3-10-21-34)51(47)37-26-11-4-12-27-37;1-5-15-32(16-6-1)41-42-38-25-13-21-31-22-14-26-39(40(31)38)43(42)45(33-17-7-2-8-18-33)48-44(41)34-27-29-36(30-28-34)47-50-49-46(35-19-9-3-10-20-35)51(47)37-23-11-4-12-24-37;1-5-17-32(18-6-1)41-42-38-29-15-23-31-24-16-30-39(40(31)38)43(42)44(33-19-7-2-8-20-33)48-45(41)36-27-13-14-28-37(36)47-50-49-46(34-21-9-3-10-22-34)51(47)35-25-11-4-12-26-35;1-3-13-30(14-4-1)41-42-36-21-11-17-29-18-12-22-37(40(29)36)43(42)45(31-15-5-2-6-16-31)46-44(41)32-25-27-33(28-26-32)47-38-23-9-7-19-34(38)35-20-8-10-24-39(35)47/h3*1-30H;1-28H
• InChIKey: JXEHIKLNPJZIMQ-UHFFFAOYSA-N
• XLogP: 47.37
• TPSA: 148.62 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 22
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2549.09
LogP ≤ 5	47.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 13-(4-carbazol-9-ylphenyl)-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;13-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;13-[3-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;13-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?

The IUPAC name of 13-(4-carbazol-9-ylphenyl)-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;13-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;13-[3-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;13-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene (CID 159050294) is 13-(4-carbazol-9-ylphenyl)-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;13-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;13-[3-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;13-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene.

What is the SMILES notation for 13-(4-carbazol-9-ylphenyl)-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;13-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;13-[3-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;13-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?

The canonical SMILES for 13-(4-carbazol-9-ylphenyl)-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;13-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;13-[3-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;13-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene is c1ccc(-c2nc(-c3ccc(-c4nnc(-c5ccccc5)n4-c4ccccc4)cc3)c(-c3ccccc3)c3c2-c2cccc4cccc-3c24)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c(-c3ccccc3)c3c2-c2cccc4cccc-3c24)cc1.c1ccc(-c2nc(-c3cccc(-c4nnc(-c5ccccc5)n4-c4ccccc4)c3)c(-c3ccccc3)c3c2-c2cccc4cccc-3c24)cc1.c1ccc(-c2nc(-c3ccccc3-c3nnc(-c4ccccc4)n3-c3ccccc3)c(-c3ccccc3)c3c2-c2cccc4cccc-3c24)cc1.

What is the InChIKey of 13-(4-carbazol-9-ylphenyl)-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;13-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;13-[3-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;13-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?

The InChIKey is JXEHIKLNPJZIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C47H30N4.C45H28N2/c1-5-16-32(17-6-1)41-42-38-28-14-22-31-23-15-29-39(40(31)38)43(42)44(33-18-7-2-8-19-33)48-45(41)35-24-13-25-36(30-35)47-50-49-46(34-20-9-3-10-21-34)51(47)37-26-11-4-12-27-37;1-5-15-32(16-6-1)41-42-38-25-13-21-31-22-14-26-39(40(31)38)43(42)45(33-17-7-2-8-18-33)48-44(41)34-27-29-36(30-28-34)47-50-49-46(35-19-9-3-10-20-35)51(47)37-23-11-4-12-24-37;1-5-17-32(18-6-1)41-42-38-29-15-23-31-24-16-30-39(40(31)38)43(42)44(33-19-7-2-8-20-33)48-45(41)36-27-13-14-28-37(36)47-50-49-46(34-21-9-3-10-22-34)51(47)35-25-11-4-12-26-35;1-3-13-30(14-4-1)41-42-36-21-11-17-29-18-12-22-37(40(29)36)43(42)45(31-15-5-2-6-16-31)46-44(41)32-25-27-33(28-26-32)47-38-23-9-7-19-34(38)35-20-8-10-24-39(35)47/h3*1-30H;1-28H.

What are the key properties of 13-(4-carbazol-9-ylphenyl)-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;13-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;13-[3-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;13-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?

13-(4-carbazol-9-ylphenyl)-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;13-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;13-[3-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;13-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene has a molecular weight of 2549.09 g/mol, XLogP of 47.37, 22 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 13-(4-carbazol-9-ylphenyl)-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;13-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;13-[3-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;13-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene is sourced from PubChem (CID 159050294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).