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-2-yl]carbazole;9-(12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)-2-[9-(12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)carbazol-3-yl]carbazole

C144H84N4 — CID 161258910

About 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-2-yl]carbazole;9-(12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)-2-[9-(12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)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-2-yl]carbazole;9-(12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)-2-[9-(12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)carbazol-3-yl]carbazole (PubChem CID 161258910) has the molecular formula C144H84N4 and a molecular weight of 1870.28 g/mol. Its IUPAC name is 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-2-yl]carbazole;9-(12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)-2-[9-(12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)carbazol-3-yl]carbazole.

Molecular Properties

• Compound Name: 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-2-yl]carbazole;9-(12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)-2-[9-(12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)carbazol-3-yl]carbazole
• PubChem CID: 161258910
• Molecular Formula: C144H84N4
• Molecular Weight: 1870.28 g/mol
• Exact Mass: 1868.67
• IUPAC Name: 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-2-yl]carbazole;9-(12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)-2-[9-(12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)carbazol-3-yl]carbazole
• SMILES: c1ccc2c(c1)ccc1c2c(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cc5c6ccccc6c6ccccc6c5c5c4ccc4ccccc45)cc32)cc2c3ccccc3c3ccccc3c21.c1ccc2c(c1)ccc1cc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7cc8ccc9ccccc9c8c8c7ccc7ccccc78)c6c5)ccc43)c3ccc4ccccc4c3c12
• InChI: InChI=1S/C76H44N2.C68H40N2/c1-3-19-49-45(17-1)34-39-63-73-60-29-11-9-23-53(60)51-21-5-7-25-55(51)65(73)44-72(74(49)63)78-67-31-15-13-27-57(67)59-37-35-48(42-70(59)78)47-36-40-69-64(41-47)58-28-14-16-32-68(58)77(69)71-43-66-56-26-8-6-22-52(56)54-24-10-12-30-61(54)76(66)75-50-20-4-2-18-46(50)33-38-62(71)75;1-5-17-49-41(13-1)25-27-47-39-63(56-34-29-43-15-3-7-19-51(43)67(56)65(47)49)69-60-24-12-10-22-54(60)58-37-45(32-36-61(58)69)46-31-33-55-53-21-9-11-23-59(53)70(62(55)38-46)64-40-48-28-26-42-14-2-6-18-50(42)66(48)68-52-20-8-4-16-44(52)30-35-57(64)68/h1-44H;1-40H
• InChIKey: VCHHKIBIYUFBAE-UHFFFAOYSA-N
• XLogP: 39.85
• TPSA: 19.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1870.28
LogP ≤ 5	39.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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-2-yl]carbazole;9-(12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)-2-[9-(12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)carbazol-3-yl]carbazole?

The IUPAC name of 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-2-yl]carbazole;9-(12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)-2-[9-(12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)carbazol-3-yl]carbazole (CID 161258910) is 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-2-yl]carbazole;9-(12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)-2-[9-(12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)carbazol-3-yl]carbazole.

What is the SMILES notation for 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-2-yl]carbazole;9-(12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)-2-[9-(12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)carbazol-3-yl]carbazole?

The canonical SMILES for 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-2-yl]carbazole;9-(12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)-2-[9-(12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)carbazol-3-yl]carbazole is c1ccc2c(c1)ccc1c2c(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cc5c6ccccc6c6ccccc6c5c5c4ccc4ccccc45)cc32)cc2c3ccccc3c3ccccc3c21.c1ccc2c(c1)ccc1cc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7cc8ccc9ccccc9c8c8c7ccc7ccccc78)c6c5)ccc43)c3ccc4ccccc4c3c12.

What is the InChIKey of 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-2-yl]carbazole;9-(12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)-2-[9-(12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)carbazol-3-yl]carbazole?

The InChIKey is VCHHKIBIYUFBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H44N2.C68H40N2/c1-3-19-49-45(17-1)34-39-63-73-60-29-11-9-23-53(60)51-21-5-7-25-55(51)65(73)44-72(74(49)63)78-67-31-15-13-27-57(67)59-37-35-48(42-70(59)78)47-36-40-69-64(41-47)58-28-14-16-32-68(58)77(69)71-43-66-56-26-8-6-22-52(56)54-24-10-12-30-61(54)76(66)75-50-20-4-2-18-46(50)33-38-62(71)75;1-5-17-49-41(13-1)25-27-47-39-63(56-34-29-43-15-3-7-19-51(43)67(56)65(47)49)69-60-24-12-10-22-54(60)58-37-45(32-36-61(58)69)46-31-33-55-53-21-9-11-23-59(53)70(62(55)38-46)64-40-48-28-26-42-14-2-6-18-50(42)66(48)68-52-20-8-4-16-44(52)30-35-57(64)68/h1-44H;1-40H.

What are the key properties of 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-2-yl]carbazole;9-(12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)-2-[9-(12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)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-2-yl]carbazole;9-(12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)-2-[9-(12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)carbazol-3-yl]carbazole has a molecular weight of 1870.28 g/mol, XLogP of 39.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 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-2-yl]carbazole;9-(12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)-2-[9-(12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)carbazol-3-yl]carbazole is sourced from PubChem (CID 161258910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).