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)-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]carbazole;9-(12-hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)-3-[9-(12-hexacyclo[12.12.0.02,11.05,10.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)carbazol-3-yl]carbazole;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-yl-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)carbazole

C216H124N6 — CID 158573176

About 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)-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]carbazole;9-(12-hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)-3-[9-(12-hexacyclo[12.12.0.02,11.05,10.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)carbazol-3-yl]carbazole;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-yl-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)carbazole

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)-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]carbazole;9-(12-hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)-3-[9-(12-hexacyclo[12.12.0.02,11.05,10.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)carbazol-3-yl]carbazole;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-yl-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)carbazole (PubChem CID 158573176) has the molecular formula C216H124N6 and a molecular weight of 2803.41 g/mol. Its IUPAC name is 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)-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]carbazole;9-(12-hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)-3-[9-(12-hexacyclo[12.12.0.02,11.05,10.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)carbazol-3-yl]carbazole;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-yl-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)carbazole.

Molecular Properties

• Compound Name: 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)-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]carbazole;9-(12-hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)-3-[9-(12-hexacyclo[12.12.0.02,11.05,10.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)carbazol-3-yl]carbazole;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-yl-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)carbazole
• PubChem CID: 158573176
• Molecular Formula: C216H124N6
• Molecular Weight: 2803.41 g/mol
• Exact Mass: 2800.99
• IUPAC Name: 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)-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]carbazole;9-(12-hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)-3-[9-(12-hexacyclo[12.12.0.02,11.05,10.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)carbazol-3-yl]carbazole;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-yl-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)carbazole
• SMILES: c1ccc2c(c1)-c1cccc3c1c-2c(-n1c2ccccc2c2cc(-c4ccc5c(c4)c4ccccc4n5-c4c5c6c(cccc6c6ccccc46)-c4ccccc4-5)ccc21)c1ccccc13.c1ccc2c(c1)c1ccccc1c1c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c8ccccc8c8c9ccccc9c9ccccc9c8c7c6)ccc54)ccc3c3ccccc3c21.c1ccc2c(c1)ccc1c2c(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cc5c6ccccc6c6ccccc6c5c5c4ccc4ccccc45)ccc32)cc2c3ccccc3c3ccccc3c21
• InChI: InChI=1S/2C76H44N2.C64H36N2/c1-7-25-59-49(17-1)51-19-3-11-29-63(51)75-67-43-47(35-37-55(67)53-21-5-9-27-61(53)73(59)75)77-69-31-15-13-23-57(69)65-41-45(33-39-71(65)77)46-34-40-72-66(42-46)58-24-14-16-32-70(58)78(72)48-36-38-56-54-22-6-10-28-62(54)74-60-26-8-2-18-50(60)52-20-4-12-30-64(52)76(74)68(56)44-48;1-3-19-49-45(17-1)34-38-62-73-59-29-11-9-23-53(59)51-21-5-7-25-55(51)65(73)44-72(74(49)62)78-68-32-16-14-28-58(68)64-42-48(36-40-70(64)78)47-35-39-69-63(41-47)57-27-13-15-31-67(57)77(69)71-43-66-56-26-8-6-22-52(56)54-24-10-12-30-60(54)76(66)75-50-20-4-2-18-46(50)33-37-61(71)75;1-5-21-49-39(15-1)45-25-13-27-47-41-17-3-7-23-51(41)63(61(49)59(45)47)65-55-29-11-9-19-43(55)53-35-37(31-33-57(53)65)38-32-34-58-54(36-38)44-20-10-12-30-56(44)66(58)64-52-24-8-4-18-42(52)48-28-14-26-46-40-16-2-6-22-50(40)62(64)60(46)48/h2*1-44H;1-36H
• InChIKey: HSIHUJGQZUJLLR-UHFFFAOYSA-N
• XLogP: 59.62
• TPSA: 29.58 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2803.41
LogP ≤ 5	59.62
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 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)-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]carbazole;9-(12-hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)-3-[9-(12-hexacyclo[12.12.0.02,11.05,10.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)carbazol-3-yl]carbazole;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-yl-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)carbazole?

The IUPAC name of 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)-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]carbazole;9-(12-hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)-3-[9-(12-hexacyclo[12.12.0.02,11.05,10.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)carbazol-3-yl]carbazole;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-yl-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)carbazole (CID 158573176) is 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)-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]carbazole;9-(12-hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)-3-[9-(12-hexacyclo[12.12.0.02,11.05,10.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)carbazol-3-yl]carbazole;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-yl-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)carbazole.

What is the SMILES notation for 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)-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]carbazole;9-(12-hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)-3-[9-(12-hexacyclo[12.12.0.02,11.05,10.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)carbazol-3-yl]carbazole;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-yl-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)carbazole?

The canonical SMILES for 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)-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]carbazole;9-(12-hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)-3-[9-(12-hexacyclo[12.12.0.02,11.05,10.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)carbazol-3-yl]carbazole;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-yl-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)carbazole is c1ccc2c(c1)-c1cccc3c1c-2c(-n1c2ccccc2c2cc(-c4ccc5c(c4)c4ccccc4n5-c4c5c6c(cccc6c6ccccc46)-c4ccccc4-5)ccc21)c1ccccc13.c1ccc2c(c1)c1ccccc1c1c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c8ccccc8c8c9ccccc9c9ccccc9c8c7c6)ccc54)ccc3c3ccccc3c21.c1ccc2c(c1)ccc1c2c(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cc5c6ccccc6c6ccccc6c5c5c4ccc4ccccc45)ccc32)cc2c3ccccc3c3ccccc3c21.

What is the InChIKey of 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)-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]carbazole;9-(12-hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)-3-[9-(12-hexacyclo[12.12.0.02,11.05,10.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)carbazol-3-yl]carbazole;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-yl-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)carbazole?

The InChIKey is HSIHUJGQZUJLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C76H44N2.C64H36N2/c1-7-25-59-49(17-1)51-19-3-11-29-63(51)75-67-43-47(35-37-55(67)53-21-5-9-27-61(53)73(59)75)77-69-31-15-13-23-57(69)65-41-45(33-39-71(65)77)46-34-40-72-66(42-46)58-24-14-16-32-70(58)78(72)48-36-38-56-54-22-6-10-28-62(54)74-60-26-8-2-18-50(60)52-20-4-12-30-64(52)76(74)68(56)44-48;1-3-19-49-45(17-1)34-38-62-73-59-29-11-9-23-53(59)51-21-5-7-25-55(51)65(73)44-72(74(49)62)78-68-32-16-14-28-58(68)64-42-48(36-40-70(64)78)47-35-39-69-63(41-47)57-27-13-15-31-67(57)77(69)71-43-66-56-26-8-6-22-52(56)54-24-10-12-30-60(54)76(66)75-50-20-4-2-18-46(50)33-37-61(71)75;1-5-21-49-39(15-1)45-25-13-27-47-41-17-3-7-23-51(41)63(61(49)59(45)47)65-55-29-11-9-19-43(55)53-35-37(31-33-57(53)65)38-32-34-58-54(36-38)44-20-10-12-30-56(44)66(58)64-52-24-8-4-18-42(52)48-28-14-26-46-40-16-2-6-22-50(40)62(64)60(46)48/h2*1-44H;1-36H.

What are the key properties of 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)-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]carbazole;9-(12-hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)-3-[9-(12-hexacyclo[12.12.0.02,11.05,10.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)carbazol-3-yl]carbazole;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-yl-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)carbazole?

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)-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]carbazole;9-(12-hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)-3-[9-(12-hexacyclo[12.12.0.02,11.05,10.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)carbazol-3-yl]carbazole;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-yl-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)carbazole has a molecular weight of 2803.41 g/mol, XLogP of 59.62, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 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)-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]carbazole;9-(12-hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)-3-[9-(12-hexacyclo[12.12.0.02,11.05,10.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)carbazol-3-yl]carbazole;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-yl-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)carbazole is sourced from PubChem (CID 158573176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).