3-(9-benzo[c]phenanthren-5-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-[9-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole

C218H136N8 — CID 160826915

About 3-(9-benzo[c]phenanthren-5-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-[9-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole

3-(9-benzo[c]phenanthren-5-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-[9-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole (PubChem CID 160826915) has the molecular formula C218H136N8 and a molecular weight of 2867.54 g/mol. Its IUPAC name is 3-(9-benzo[c]phenanthren-5-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-[9-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole.

Molecular Properties

• Compound Name: 3-(9-benzo[c]phenanthren-5-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-[9-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
• PubChem CID: 160826915
• Molecular Formula: C218H136N8
• Molecular Weight: 2867.54 g/mol
• Exact Mass: 2865.09
• IUPAC Name: 3-(9-benzo[c]phenanthren-5-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-[9-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
• SMILES: c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc6c7ccccc7c7ccccc7c6c6ccccc56)ccc43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc6ccc7ccccc7c6c6ccccc56)ccc43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c7c(cccc57)-c5ccccc5-6)ccc43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c7ccccc7c7ccccc7c6c5)ccc43)cc2)cc1
• InChI: InChI=1S/C58H36N2.2C54H34N2.C52H32N2/c1-2-14-37(15-3-1)38-26-30-41(31-27-38)59-53-24-12-10-20-46(53)50-34-39(28-32-55(50)59)40-29-33-56-51(35-40)47-21-11-13-25-54(47)60(56)57-36-52-44-18-5-4-16-42(44)43-17-6-8-22-48(43)58(52)49-23-9-7-19-45(49)57;1-2-12-35(13-3-1)36-22-26-39(27-23-36)55-51-20-10-8-18-46(51)49-32-37(24-30-53(49)55)38-25-31-54-50(33-38)47-19-9-11-21-52(47)56(54)40-28-29-45-43-16-5-4-14-41(43)42-15-6-7-17-44(42)48(45)34-40;1-2-12-35(13-3-1)36-24-28-41(29-25-36)55-49-20-10-8-17-44(49)47-32-38(26-30-51(47)55)39-27-31-52-48(33-39)45-18-9-11-21-50(45)56(52)53-34-40-23-22-37-14-4-5-15-42(37)54(40)46-19-7-6-16-43(46)53;1-2-11-33(12-3-1)34-21-25-37(26-22-34)53-47-19-8-6-15-40(47)45-31-35(23-28-50(45)53)36-24-29-51-46(32-36)41-16-7-9-20-48(41)54(51)49-30-27-43-39-14-5-4-13-38(39)42-17-10-18-44(49)52(42)43/h1-36H;2*1-34H;1-32H
• InChIKey: SGHIIFXJXDYUHD-UHFFFAOYSA-N
• XLogP: 59.19
• TPSA: 39.44 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 226
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2867.54
LogP ≤ 5	59.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(9-benzo[c]phenanthren-5-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-[9-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole?

The IUPAC name of 3-(9-benzo[c]phenanthren-5-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-[9-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole (CID 160826915) is 3-(9-benzo[c]phenanthren-5-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-[9-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole.

What is the SMILES notation for 3-(9-benzo[c]phenanthren-5-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-[9-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole?

The canonical SMILES for 3-(9-benzo[c]phenanthren-5-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-[9-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc6c7ccccc7c7ccccc7c6c6ccccc56)ccc43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc6ccc7ccccc7c6c6ccccc56)ccc43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c7c(cccc57)-c5ccccc5-6)ccc43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c7ccccc7c7ccccc7c6c5)ccc43)cc2)cc1.

What is the InChIKey of 3-(9-benzo[c]phenanthren-5-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-[9-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole?

The InChIKey is SGHIIFXJXDYUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2.2C54H34N2.C52H32N2/c1-2-14-37(15-3-1)38-26-30-41(31-27-38)59-53-24-12-10-20-46(53)50-34-39(28-32-55(50)59)40-29-33-56-51(35-40)47-21-11-13-25-54(47)60(56)57-36-52-44-18-5-4-16-42(44)43-17-6-8-22-48(43)58(52)49-23-9-7-19-45(49)57;1-2-12-35(13-3-1)36-22-26-39(27-23-36)55-51-20-10-8-18-46(51)49-32-37(24-30-53(49)55)38-25-31-54-50(33-38)47-19-9-11-21-52(47)56(54)40-28-29-45-43-16-5-4-14-41(43)42-15-6-7-17-44(42)48(45)34-40;1-2-12-35(13-3-1)36-24-28-41(29-25-36)55-49-20-10-8-17-44(49)47-32-38(26-30-51(47)55)39-27-31-52-48(33-39)45-18-9-11-21-50(45)56(52)53-34-40-23-22-37-14-4-5-15-42(37)54(40)46-19-7-6-16-43(46)53;1-2-11-33(12-3-1)34-21-25-37(26-22-34)53-47-19-8-6-15-40(47)45-31-35(23-28-50(45)53)36-24-29-51-46(32-36)41-16-7-9-20-48(41)54(51)49-30-27-43-39-14-5-4-13-38(39)42-17-10-18-44(49)52(42)43/h1-36H;2*1-34H;1-32H.

What are the key properties of 3-(9-benzo[c]phenanthren-5-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-[9-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole?

3-(9-benzo[c]phenanthren-5-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-[9-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole has a molecular weight of 2867.54 g/mol, XLogP of 59.19, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(9-benzo[c]phenanthren-5-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-[9-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole is sourced from PubChem (CID 160826915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).