3-[9-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-7-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylcarbazol-3-yl)-9-phenylcarbazole

C156H94N6 — CID 159052527

About 3-[9-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-7-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylcarbazol-3-yl)-9-phenylcarbazole

3-[9-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-7-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylcarbazol-3-yl)-9-phenylcarbazole (PubChem CID 159052527) has the molecular formula C156H94N6 and a molecular weight of 2052.51 g/mol. Its IUPAC name is 3-[9-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-7-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylcarbazol-3-yl)-9-phenylcarbazole.

Molecular Properties

• Compound Name: 3-[9-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-7-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylcarbazol-3-yl)-9-phenylcarbazole
• PubChem CID: 159052527
• Molecular Formula: C156H94N6
• Molecular Weight: 2052.51 g/mol
• Exact Mass: 2050.75
• IUPAC Name: 3-[9-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-7-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylcarbazol-3-yl)-9-phenylcarbazole
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4c5c6c(cccc6c6ccccc46)-c4ccccc4-5)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)-c4cc6ccccc6c6cccc-5c46)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6ccccc6c6c7ccccc7c7ccccc7c6c5c4)ccc32)cc1
• InChI: InChI=1S/C56H34N2.2C50H30N2/c1-2-14-37(15-3-1)57-51-24-12-10-19-43(51)48-32-35(26-30-53(48)57)36-27-31-54-49(33-36)44-20-11-13-25-52(44)58(54)38-28-29-42-41-18-6-8-22-46(41)55-45-21-7-4-16-39(45)40-17-5-9-23-47(40)56(55)50(42)34-38;1-2-13-33(14-3-1)51-44-23-10-8-17-36(44)42-29-31(25-27-46(42)51)32-26-28-47-43(30-32)37-18-9-11-24-45(37)52(47)50-41-20-7-5-16-35(41)39-22-12-21-38-34-15-4-6-19-40(34)49(50)48(38)39;1-2-12-34(13-3-1)51-46-19-8-6-15-38(46)43-27-31(21-25-48(43)51)32-22-26-49-44(28-32)39-16-7-9-20-47(39)52(49)35-23-24-37-41-18-10-17-40-36-14-5-4-11-33(36)29-45(50(40)41)42(37)30-35/h1-34H;2*1-30H
• InChIKey: JXLGPBPJMNRBKH-UHFFFAOYSA-N
• XLogP: 42.32
• TPSA: 29.58 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2052.51
LogP ≤ 5	42.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-7-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylcarbazol-3-yl)-9-phenylcarbazole?

The IUPAC name of 3-[9-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-7-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylcarbazol-3-yl)-9-phenylcarbazole (CID 159052527) is 3-[9-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-7-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylcarbazol-3-yl)-9-phenylcarbazole.

What is the SMILES notation for 3-[9-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-7-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylcarbazol-3-yl)-9-phenylcarbazole?

The canonical SMILES for 3-[9-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-7-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylcarbazol-3-yl)-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4c5c6c(cccc6c6ccccc46)-c4ccccc4-5)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)-c4cc6ccccc6c6cccc-5c46)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6ccccc6c6c7ccccc7c7ccccc7c6c5c4)ccc32)cc1.

What is the InChIKey of 3-[9-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-7-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylcarbazol-3-yl)-9-phenylcarbazole?

The InChIKey is JXLGPBPJMNRBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N2.2C50H30N2/c1-2-14-37(15-3-1)57-51-24-12-10-19-43(51)48-32-35(26-30-53(48)57)36-27-31-54-49(33-36)44-20-11-13-25-52(44)58(54)38-28-29-42-41-18-6-8-22-46(41)55-45-21-7-4-16-39(45)40-17-5-9-23-47(40)56(55)50(42)34-38;1-2-13-33(14-3-1)51-44-23-10-8-17-36(44)42-29-31(25-27-46(42)51)32-26-28-47-43(30-32)37-18-9-11-24-45(37)52(47)50-41-20-7-5-16-35(41)39-22-12-21-38-34-15-4-6-19-40(34)49(50)48(38)39;1-2-12-34(13-3-1)51-46-19-8-6-15-38(46)43-27-31(21-25-48(43)51)32-22-26-49-44(28-32)39-16-7-9-20-47(39)52(49)35-23-24-37-41-18-10-17-40-36-14-5-4-11-33(36)29-45(50(40)41)42(37)30-35/h1-34H;2*1-30H.

What are the key properties of 3-[9-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-7-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylcarbazol-3-yl)-9-phenylcarbazole?

3-[9-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-7-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylcarbazol-3-yl)-9-phenylcarbazole has a molecular weight of 2052.51 g/mol, XLogP of 42.32, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-7-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylcarbazol-3-yl)-9-phenylcarbazole is sourced from PubChem (CID 159052527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).