9-[3,5-di(carbazol-9-yl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;5-(1,10-phenanthrolin-2-yl)-8-phenyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene;8-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene

C117H72N16 — CID 160714223

About 9-[3,5-di(carbazol-9-yl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;5-(1,10-phenanthrolin-2-yl)-8-phenyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene;8-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene

9-[3,5-di(carbazol-9-yl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;5-(1,10-phenanthrolin-2-yl)-8-phenyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene;8-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene (PubChem CID 160714223) has the molecular formula C117H72N16 and a molecular weight of 1701.97 g/mol. Its IUPAC name is 9-[3,5-di(carbazol-9-yl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;5-(1,10-phenanthrolin-2-yl)-8-phenyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene;8-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene.

Molecular Properties

• Compound Name: 9-[3,5-di(carbazol-9-yl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;5-(1,10-phenanthrolin-2-yl)-8-phenyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene;8-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene
• PubChem CID: 160714223
• Molecular Formula: C117H72N16
• Molecular Weight: 1701.97 g/mol
• Exact Mass: 1700.61
• IUPAC Name: 9-[3,5-di(carbazol-9-yl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;5-(1,10-phenanthrolin-2-yl)-8-phenyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene;8-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)c(-c4ccccc4)nc4c5nc5ccccn54)n3)cc2)cc1.c1ccc(-c2nc3c(nc4ccccn43)c3ccc(-c4ccc5ccc6cccnc6c5n4)cc23)cc1.c1ccc2c(c1)nc(-c1cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c1)c1c2nc2ccccn21
• InChI: InChI=1S/C44H27N5.C41H26N6.C32H19N5/c1-6-18-36-35(17-1)43-44(47-24-12-11-23-41(47)46-43)42(45-36)28-25-29(48-37-19-7-2-13-31(37)32-14-3-8-20-38(32)48)27-30(26-28)49-39-21-9-4-15-33(39)34-16-5-10-22-40(34)49;1-4-12-27(13-5-1)28-19-21-31(22-20-28)39-44-38(30-16-8-3-9-17-30)45-40(46-39)32-23-24-33-34(26-32)36(29-14-6-2-7-15-29)43-41-37(33)42-35-18-10-11-25-47(35)41;1-2-7-20(8-3-1)28-25-19-23(13-15-24(25)31-32(36-28)37-18-5-4-10-27(37)35-31)26-16-14-22-12-11-21-9-6-17-33-29(21)30(22)34-26/h1-27H;1-26H;1-19H
• InChIKey: RSGJDIZFUABFED-UHFFFAOYSA-N
• XLogP: 27.92
• TPSA: 164.88 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1701.97
LogP ≤ 5	27.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[3,5-di(carbazol-9-yl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;5-(1,10-phenanthrolin-2-yl)-8-phenyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene;8-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene?

The IUPAC name of 9-[3,5-di(carbazol-9-yl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;5-(1,10-phenanthrolin-2-yl)-8-phenyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene;8-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene (CID 160714223) is 9-[3,5-di(carbazol-9-yl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;5-(1,10-phenanthrolin-2-yl)-8-phenyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene;8-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene.

What is the SMILES notation for 9-[3,5-di(carbazol-9-yl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;5-(1,10-phenanthrolin-2-yl)-8-phenyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene;8-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene?

The canonical SMILES for 9-[3,5-di(carbazol-9-yl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;5-(1,10-phenanthrolin-2-yl)-8-phenyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene;8-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)c(-c4ccccc4)nc4c5nc5ccccn54)n3)cc2)cc1.c1ccc(-c2nc3c(nc4ccccn43)c3ccc(-c4ccc5ccc6cccnc6c5n4)cc23)cc1.c1ccc2c(c1)nc(-c1cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c1)c1c2nc2ccccn21.

What is the InChIKey of 9-[3,5-di(carbazol-9-yl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;5-(1,10-phenanthrolin-2-yl)-8-phenyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene;8-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene?

The InChIKey is RSGJDIZFUABFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N5.C41H26N6.C32H19N5/c1-6-18-36-35(17-1)43-44(47-24-12-11-23-41(47)46-43)42(45-36)28-25-29(48-37-19-7-2-13-31(37)32-14-3-8-20-38(32)48)27-30(26-28)49-39-21-9-4-15-33(39)34-16-5-10-22-40(34)49;1-4-12-27(13-5-1)28-19-21-31(22-20-28)39-44-38(30-16-8-3-9-17-30)45-40(46-39)32-23-24-33-34(26-32)36(29-14-6-2-7-15-29)43-41-37(33)42-35-18-10-11-25-47(35)41;1-2-7-20(8-3-1)28-25-19-23(13-15-24(25)31-32(36-28)37-18-5-4-10-27(37)35-31)26-16-14-22-12-11-21-9-6-17-33-29(21)30(22)34-26/h1-27H;1-26H;1-19H.

What are the key properties of 9-[3,5-di(carbazol-9-yl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;5-(1,10-phenanthrolin-2-yl)-8-phenyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene;8-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene?

9-[3,5-di(carbazol-9-yl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;5-(1,10-phenanthrolin-2-yl)-8-phenyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene;8-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene has a molecular weight of 1701.97 g/mol, XLogP of 27.92, 10 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3,5-di(carbazol-9-yl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;5-(1,10-phenanthrolin-2-yl)-8-phenyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene;8-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene is sourced from PubChem (CID 160714223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).