9-(19-carbazol-9-yl-18,22-diphenyl-20-hexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaenyl)carbazole;19,20-dinaphthalen-1-yl-18,22-diphenylhexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaene;19,20-di(phenanthren-3-yl)-18,22-diphenylhexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaene

C180H108N2 — CID 159082972

About 9-(19-carbazol-9-yl-18,22-diphenyl-20-hexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaenyl)carbazole;19,20-dinaphthalen-1-yl-18,22-diphenylhexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaene;19,20-di(phenanthren-3-yl)-18,22-diphenylhexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaene

9-(19-carbazol-9-yl-18,22-diphenyl-20-hexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaenyl)carbazole;19,20-dinaphthalen-1-yl-18,22-diphenylhexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaene;19,20-di(phenanthren-3-yl)-18,22-diphenylhexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaene (PubChem CID 159082972) has the molecular formula C180H108N2 and a molecular weight of 2298.86 g/mol. Its IUPAC name is 9-(19-carbazol-9-yl-18,22-diphenyl-20-hexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaenyl)carbazole;19,20-dinaphthalen-1-yl-18,22-diphenylhexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaene;19,20-di(phenanthren-3-yl)-18,22-diphenylhexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaene.

Molecular Properties

• Compound Name: 9-(19-carbazol-9-yl-18,22-diphenyl-20-hexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaenyl)carbazole;19,20-dinaphthalen-1-yl-18,22-diphenylhexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaene;19,20-di(phenanthren-3-yl)-18,22-diphenylhexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaene
• PubChem CID: 159082972
• Molecular Formula: C180H108N2
• Molecular Weight: 2298.86 g/mol
• Exact Mass: 2296.85
• IUPAC Name: 9-(19-carbazol-9-yl-18,22-diphenyl-20-hexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaenyl)carbazole;19,20-dinaphthalen-1-yl-18,22-diphenylhexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaene;19,20-di(phenanthren-3-yl)-18,22-diphenylhexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaene
• SMILES: c1ccc(C2=C3C(=C(c4ccccc4)c4cc5c6ccccc6c6ccccc6c5cc43)C(c3ccc4ccc5ccccc5c4c3)=C2c2ccc3ccc4ccccc4c3c2)cc1.c1ccc(C2=C3C(=C(c4ccccc4)c4cc5c6ccccc6c6ccccc6c5cc43)C(c3cccc4ccccc34)=C2c2cccc3ccccc23)cc1.c1ccc(C2=C3C(=C(c4ccccc4)c4cc5c6ccccc6c6ccccc6c5cc43)C(n3c4ccccc4c4ccccc43)=C2n2c3ccccc3c3ccccc32)cc1
• InChI: InChI=1S/C64H38.C60H36N2.C56H34/c1-3-17-43(18-4-1)59-57-37-55-51-25-13-11-23-49(51)50-24-12-14-26-52(50)56(55)38-58(57)63-60(44-19-5-2-6-20-44)61(45-33-31-41-29-27-39-15-7-9-21-47(39)53(41)35-45)62(64(59)63)46-34-32-42-30-28-40-16-8-10-22-48(40)54(42)36-46;1-3-19-37(20-4-1)55-49-35-47-41-25-9-7-23-39(41)40-24-8-10-26-42(40)48(47)36-50(49)57-56(38-21-5-2-6-22-38)59(61-51-31-15-11-27-43(51)44-28-12-16-32-52(44)61)60(58(55)57)62-53-33-17-13-29-45(53)46-30-14-18-34-54(46)62;1-3-19-37(20-4-1)51-49-33-47-43-29-13-11-27-41(43)42-28-12-14-30-44(42)48(47)34-50(49)55-52(38-21-5-2-6-22-38)53(45-31-15-23-35-17-7-9-25-39(35)45)54(56(51)55)46-32-16-24-36-18-8-10-26-40(36)46/h1-38H;1-36H;1-34H
• InChIKey: KBBYFASNJQTEIA-UHFFFAOYSA-N
• XLogP: 47.54
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2298.86
LogP ≤ 5	47.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(19-carbazol-9-yl-18,22-diphenyl-20-hexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaenyl)carbazole;19,20-dinaphthalen-1-yl-18,22-diphenylhexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaene;19,20-di(phenanthren-3-yl)-18,22-diphenylhexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaene?

The IUPAC name of 9-(19-carbazol-9-yl-18,22-diphenyl-20-hexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaenyl)carbazole;19,20-dinaphthalen-1-yl-18,22-diphenylhexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaene;19,20-di(phenanthren-3-yl)-18,22-diphenylhexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaene (CID 159082972) is 9-(19-carbazol-9-yl-18,22-diphenyl-20-hexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaenyl)carbazole;19,20-dinaphthalen-1-yl-18,22-diphenylhexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaene;19,20-di(phenanthren-3-yl)-18,22-diphenylhexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaene.

What is the SMILES notation for 9-(19-carbazol-9-yl-18,22-diphenyl-20-hexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaenyl)carbazole;19,20-dinaphthalen-1-yl-18,22-diphenylhexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaene;19,20-di(phenanthren-3-yl)-18,22-diphenylhexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaene?

The canonical SMILES for 9-(19-carbazol-9-yl-18,22-diphenyl-20-hexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaenyl)carbazole;19,20-dinaphthalen-1-yl-18,22-diphenylhexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaene;19,20-di(phenanthren-3-yl)-18,22-diphenylhexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaene is c1ccc(C2=C3C(=C(c4ccccc4)c4cc5c6ccccc6c6ccccc6c5cc43)C(c3ccc4ccc5ccccc5c4c3)=C2c2ccc3ccc4ccccc4c3c2)cc1.c1ccc(C2=C3C(=C(c4ccccc4)c4cc5c6ccccc6c6ccccc6c5cc43)C(c3cccc4ccccc34)=C2c2cccc3ccccc23)cc1.c1ccc(C2=C3C(=C(c4ccccc4)c4cc5c6ccccc6c6ccccc6c5cc43)C(n3c4ccccc4c4ccccc43)=C2n2c3ccccc3c3ccccc32)cc1.

What is the InChIKey of 9-(19-carbazol-9-yl-18,22-diphenyl-20-hexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaenyl)carbazole;19,20-dinaphthalen-1-yl-18,22-diphenylhexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaene;19,20-di(phenanthren-3-yl)-18,22-diphenylhexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaene?

The InChIKey is KBBYFASNJQTEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H38.C60H36N2.C56H34/c1-3-17-43(18-4-1)59-57-37-55-51-25-13-11-23-49(51)50-24-12-14-26-52(50)56(55)38-58(57)63-60(44-19-5-2-6-20-44)61(45-33-31-41-29-27-39-15-7-9-21-47(39)53(41)35-45)62(64(59)63)46-34-32-42-30-28-40-16-8-10-22-48(40)54(42)36-46;1-3-19-37(20-4-1)55-49-35-47-41-25-9-7-23-39(41)40-24-8-10-26-42(40)48(47)36-50(49)57-56(38-21-5-2-6-22-38)59(61-51-31-15-11-27-43(51)44-28-12-16-32-52(44)61)60(58(55)57)62-53-33-17-13-29-45(53)46-30-14-18-34-54(46)62;1-3-19-37(20-4-1)51-49-33-47-43-29-13-11-27-41(43)42-28-12-14-30-44(42)48(47)34-50(49)55-52(38-21-5-2-6-22-38)53(45-31-15-23-35-17-7-9-25-39(35)45)54(56(51)55)46-32-16-24-36-18-8-10-26-40(36)46/h1-38H;1-36H;1-34H.

What are the key properties of 9-(19-carbazol-9-yl-18,22-diphenyl-20-hexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaenyl)carbazole;19,20-dinaphthalen-1-yl-18,22-diphenylhexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaene;19,20-di(phenanthren-3-yl)-18,22-diphenylhexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaene?

9-(19-carbazol-9-yl-18,22-diphenyl-20-hexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaenyl)carbazole;19,20-dinaphthalen-1-yl-18,22-diphenylhexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaene;19,20-di(phenanthren-3-yl)-18,22-diphenylhexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaene has a molecular weight of 2298.86 g/mol, XLogP of 47.54, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(19-carbazol-9-yl-18,22-diphenyl-20-hexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaenyl)carbazole;19,20-dinaphthalen-1-yl-18,22-diphenylhexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaene;19,20-di(phenanthren-3-yl)-18,22-diphenylhexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaene is sourced from PubChem (CID 159082972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).