9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[3-(3-diphenylphosphorylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(3-diphenylphosphorylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene

C170H110N16O2P2 — CID 161489645

About 9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[3-(3-diphenylphosphorylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(3-diphenylphosphorylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene

9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[3-(3-diphenylphosphorylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(3-diphenylphosphorylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene (PubChem CID 161489645) has the molecular formula C170H110N16O2P2 and a molecular weight of 2470.81 g/mol. Its IUPAC name is 9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[3-(3-diphenylphosphorylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(3-diphenylphosphorylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene.

Molecular Properties

• Compound Name: 9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[3-(3-diphenylphosphorylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(3-diphenylphosphorylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
• PubChem CID: 161489645
• Molecular Formula: C170H110N16O2P2
• Molecular Weight: 2470.81 g/mol
• Exact Mass: 2468.85
• IUPAC Name: 9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[3-(3-diphenylphosphorylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(3-diphenylphosphorylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
• SMILES: O=P(c1ccccc1)(c1ccccc1)c1cccc(-c2cccc(-c3nc4ccccc4c4nc5ccccn5c34)c2)c1.O=P(c1ccccc1)(c1ccccc1)c1cccc(-c2nc3ccccc3c3nc4ccccn4c23)c1.c1cc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc(-c2nc3ccccc3c3nc4ccccn4c23)c1.c1ccc2c(c1)nc(-c1ccc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)cc1)c1c2nc2ccccn21
• InChI: InChI=1S/2C50H31N5.C38H26N3OP.C32H22N3OP/c1-6-21-42-41(20-1)49-50(53-27-12-11-26-47(53)52-49)48(51-42)33-15-13-14-32(28-33)34-29-35(54-43-22-7-2-16-37(43)38-17-3-8-23-44(38)54)31-36(30-34)55-45-24-9-4-18-39(45)40-19-5-10-25-46(40)55;1-6-18-42-41(17-1)49-50(53-28-12-11-23-47(53)52-49)48(51-42)33-26-24-32(25-27-33)34-29-35(54-43-19-7-2-13-37(43)38-14-3-8-20-44(38)54)31-36(30-34)55-45-21-9-4-15-39(45)40-16-5-10-22-46(40)55;42-43(30-16-3-1-4-17-30,31-18-5-2-6-19-31)32-20-12-14-28(26-32)27-13-11-15-29(25-27)36-38-37(33-21-7-8-22-34(33)39-36)40-35-23-9-10-24-41(35)38;36-37(24-13-3-1-4-14-24,25-15-5-2-6-16-25)26-17-11-12-23(22-26)30-32-31(27-18-7-8-19-28(27)33-30)34-29-20-9-10-21-35(29)32/h2*1-31H;1-26H;1-22H
• InChIKey: WFKZNBNUKRUVRZ-UHFFFAOYSA-N
• XLogP: 39.48
• TPSA: 174.62 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 17
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2470.81
LogP ≤ 5	39.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[3-(3-diphenylphosphorylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(3-diphenylphosphorylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

The IUPAC name of 9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[3-(3-diphenylphosphorylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(3-diphenylphosphorylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene (CID 161489645) is 9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[3-(3-diphenylphosphorylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(3-diphenylphosphorylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene.

What is the SMILES notation for 9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[3-(3-diphenylphosphorylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(3-diphenylphosphorylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

The canonical SMILES for 9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[3-(3-diphenylphosphorylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(3-diphenylphosphorylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene is O=P(c1ccccc1)(c1ccccc1)c1cccc(-c2cccc(-c3nc4ccccc4c4nc5ccccn5c34)c2)c1.O=P(c1ccccc1)(c1ccccc1)c1cccc(-c2nc3ccccc3c3nc4ccccn4c23)c1.c1cc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc(-c2nc3ccccc3c3nc4ccccn4c23)c1.c1ccc2c(c1)nc(-c1ccc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)cc1)c1c2nc2ccccn21.

What is the InChIKey of 9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[3-(3-diphenylphosphorylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(3-diphenylphosphorylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

The InChIKey is WFKZNBNUKRUVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C50H31N5.C38H26N3OP.C32H22N3OP/c1-6-21-42-41(20-1)49-50(53-27-12-11-26-47(53)52-49)48(51-42)33-15-13-14-32(28-33)34-29-35(54-43-22-7-2-16-37(43)38-17-3-8-23-44(38)54)31-36(30-34)55-45-24-9-4-18-39(45)40-19-5-10-25-46(40)55;1-6-18-42-41(17-1)49-50(53-28-12-11-23-47(53)52-49)48(51-42)33-26-24-32(25-27-33)34-29-35(54-43-19-7-2-13-37(43)38-14-3-8-20-44(38)54)31-36(30-34)55-45-21-9-4-15-39(45)40-16-5-10-22-46(40)55;42-43(30-16-3-1-4-17-30,31-18-5-2-6-19-31)32-20-12-14-28(26-32)27-13-11-15-29(25-27)36-38-37(33-21-7-8-22-34(33)39-36)40-35-23-9-10-24-41(35)38;36-37(24-13-3-1-4-14-24,25-15-5-2-6-16-25)26-17-11-12-23(22-26)30-32-31(27-18-7-8-19-28(27)33-30)34-29-20-9-10-21-35(29)32/h2*1-31H;1-26H;1-22H.

What are the key properties of 9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[3-(3-diphenylphosphorylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(3-diphenylphosphorylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[3-(3-diphenylphosphorylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(3-diphenylphosphorylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene has a molecular weight of 2470.81 g/mol, XLogP of 39.48, 17 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[3-(3-diphenylphosphorylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(3-diphenylphosphorylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene is sourced from PubChem (CID 161489645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).