9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;4-[4-(1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaen-14-yl)phenyl]benzonitrile

C105H68N14 — CID 159121035

About 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;4-[4-(1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaen-14-yl)phenyl]benzonitrile

9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;4-[4-(1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaen-14-yl)phenyl]benzonitrile (PubChem CID 159121035) has the molecular formula C105H68N14 and a molecular weight of 1525.80 g/mol. Its IUPAC name is 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;4-[4-(1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaen-14-yl)phenyl]benzonitrile.

Molecular Properties

• Compound Name: 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;4-[4-(1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaen-14-yl)phenyl]benzonitrile
• PubChem CID: 159121035
• Molecular Formula: C105H68N14
• Molecular Weight: 1525.80 g/mol
• Exact Mass: 1524.58
• IUPAC Name: 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;4-[4-(1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaen-14-yl)phenyl]benzonitrile
• SMILES: N#Cc1ccc(-c2ccc(N3c4ccccc4-c4ccccc4-n4c3nc3ccccc34)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(N4c5ccccc5-c5ccccc5-n5c4nc4ccccc45)c3)n2)cc1
• InChI: InChI=1S/C40H26N6.C33H22N4.C32H20N4/c1-3-14-27(15-4-1)37-42-38(28-16-5-2-6-17-28)44-39(43-37)29-18-13-19-30(26-29)45-34-23-10-7-20-31(34)32-21-8-11-24-35(32)46-36-25-12-9-22-33(36)41-40(45)46;1-3-12-23(13-4-1)31-34-32(24-14-5-2-6-15-24)36-33(35-31)25-16-11-17-26(22-25)37-29-20-9-7-18-27(29)28-19-8-10-21-30(28)37;33-21-22-13-15-23(16-14-22)24-17-19-25(20-18-24)35-29-10-4-1-7-26(29)27-8-2-5-11-30(27)36-31-12-6-3-9-28(31)34-32(35)36/h1-26H;1-22H;1-20H
• InChIKey: KFRURKFXISDBME-UHFFFAOYSA-N
• XLogP: 25.65
• TPSA: 148.18 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1525.80
LogP ≤ 5	25.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;4-[4-(1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaen-14-yl)phenyl]benzonitrile?

The IUPAC name of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;4-[4-(1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaen-14-yl)phenyl]benzonitrile (CID 159121035) is 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;4-[4-(1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaen-14-yl)phenyl]benzonitrile.

What is the SMILES notation for 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;4-[4-(1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaen-14-yl)phenyl]benzonitrile?

The canonical SMILES for 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;4-[4-(1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaen-14-yl)phenyl]benzonitrile is N#Cc1ccc(-c2ccc(N3c4ccccc4-c4ccccc4-n4c3nc3ccccc34)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(N4c5ccccc5-c5ccccc5-n5c4nc4ccccc45)c3)n2)cc1.

What is the InChIKey of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;4-[4-(1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaen-14-yl)phenyl]benzonitrile?

The InChIKey is KFRURKFXISDBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N6.C33H22N4.C32H20N4/c1-3-14-27(15-4-1)37-42-38(28-16-5-2-6-17-28)44-39(43-37)29-18-13-19-30(26-29)45-34-23-10-7-20-31(34)32-21-8-11-24-35(32)46-36-25-12-9-22-33(36)41-40(45)46;1-3-12-23(13-4-1)31-34-32(24-14-5-2-6-15-24)36-33(35-31)25-16-11-17-26(22-25)37-29-20-9-7-18-27(29)28-19-8-10-21-30(28)37;33-21-22-13-15-23(16-14-22)24-17-19-25(20-18-24)35-29-10-4-1-7-26(29)27-8-2-5-11-30(27)36-31-12-6-3-9-28(31)34-32(35)36/h1-26H;1-22H;1-20H.

What are the key properties of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;4-[4-(1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaen-14-yl)phenyl]benzonitrile?

9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;4-[4-(1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaen-14-yl)phenyl]benzonitrile has a molecular weight of 1525.80 g/mol, XLogP of 25.65, 10 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;4-[4-(1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaen-14-yl)phenyl]benzonitrile is sourced from PubChem (CID 159121035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).