5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(9-phenylcarbazol-2-yl)benzo[a]carbazole;16-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzimidazole

C138H89N15 — CID 159181960

About 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(9-phenylcarbazol-2-yl)benzo[a]carbazole;16-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzimidazole

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(9-phenylcarbazol-2-yl)benzo[a]carbazole;16-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzimidazole (PubChem CID 159181960) has the molecular formula C138H89N15 and a molecular weight of 1957.33 g/mol. Its IUPAC name is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(9-phenylcarbazol-2-yl)benzo[a]carbazole;16-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzimidazole.

Molecular Properties

• Compound Name: 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(9-phenylcarbazol-2-yl)benzo[a]carbazole;16-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzimidazole
• PubChem CID: 159181960
• Molecular Formula: C138H89N15
• Molecular Weight: 1957.33 g/mol
• Exact Mass: 1955.74
• IUPAC Name: 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(9-phenylcarbazol-2-yl)benzo[a]carbazole;16-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzimidazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5ccccc5n(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4cc5c6c7ccccc7ccc6n(-c6ccccc6)c5cc43)n2)cc1
• InChI: InChI=1S/2C49H31N5.C40H27N5/c1-4-17-33(18-5-1)47-50-48(34-19-6-2-7-20-34)52-49(51-47)38-25-13-15-27-42(38)54-41-26-14-12-24-37(41)39-30-40-45(31-44(39)54)53(35-21-8-3-9-22-35)43-29-28-32-16-10-11-23-36(32)46(40)43;1-4-16-32(17-5-1)47-50-48(33-18-6-2-7-19-33)52-49(51-47)42-31-41-38-24-13-15-27-44(38)54(46(41)40-25-11-10-22-36(40)42)35-28-29-39-37-23-12-14-26-43(37)53(45(39)30-35)34-20-8-3-9-21-34;1-4-13-29(14-5-1)37-42-38(30-15-6-2-7-16-30)44-39(43-37)33-18-12-17-32(27-33)28-23-25-31(26-24-28)40-41-35-21-10-11-22-36(35)45(40)34-19-8-3-9-20-34/h2*1-31H;1-27H
• InChIKey: KMZWIQMJRZJGNT-UHFFFAOYSA-N
• XLogP: 33.99
• TPSA: 153.55 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1957.33
LogP ≤ 5	33.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(9-phenylcarbazol-2-yl)benzo[a]carbazole;16-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzimidazole?

The IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(9-phenylcarbazol-2-yl)benzo[a]carbazole;16-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzimidazole (CID 159181960) is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(9-phenylcarbazol-2-yl)benzo[a]carbazole;16-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzimidazole.

What is the SMILES notation for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(9-phenylcarbazol-2-yl)benzo[a]carbazole;16-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzimidazole?

The canonical SMILES for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(9-phenylcarbazol-2-yl)benzo[a]carbazole;16-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzimidazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5ccccc5n(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4cc5c6c7ccccc7ccc6n(-c6ccccc6)c5cc43)n2)cc1.

What is the InChIKey of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(9-phenylcarbazol-2-yl)benzo[a]carbazole;16-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzimidazole?

The InChIKey is KMZWIQMJRZJGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C49H31N5.C40H27N5/c1-4-17-33(18-5-1)47-50-48(34-19-6-2-7-20-34)52-49(51-47)38-25-13-15-27-42(38)54-41-26-14-12-24-37(41)39-30-40-45(31-44(39)54)53(35-21-8-3-9-22-35)43-29-28-32-16-10-11-23-36(32)46(40)43;1-4-16-32(17-5-1)47-50-48(33-18-6-2-7-19-33)52-49(51-47)42-31-41-38-24-13-15-27-44(38)54(46(41)40-25-11-10-22-36(40)42)35-28-29-39-37-23-12-14-26-43(37)53(45(39)30-35)34-20-8-3-9-21-34;1-4-13-29(14-5-1)37-42-38(30-15-6-2-7-16-30)44-39(43-37)33-18-12-17-32(27-33)28-23-25-31(26-24-28)40-41-35-21-10-11-22-36(35)45(40)34-19-8-3-9-20-34/h2*1-31H;1-27H.

What are the key properties of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(9-phenylcarbazol-2-yl)benzo[a]carbazole;16-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzimidazole?

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(9-phenylcarbazol-2-yl)benzo[a]carbazole;16-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzimidazole has a molecular weight of 1957.33 g/mol, XLogP of 33.99, 16 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(9-phenylcarbazol-2-yl)benzo[a]carbazole;16-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzimidazole is sourced from PubChem (CID 159181960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).