15,25-di(carbazol-9-yl)-12,18,22,28-tetraphenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23(35),24,26,30,32-tetradecaene

C78H52B2N6 — CID 170778525

About 15,25-di(carbazol-9-yl)-12,18,22,28-tetraphenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23(35),24,26,30,32-tetradecaene

15,25-di(carbazol-9-yl)-12,18,22,28-tetraphenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23(35),24,26,30,32-tetradecaene (PubChem CID 170778525) has the molecular formula C78H52B2N6 and a molecular weight of 1094.94 g/mol. Its IUPAC name is 15,25-di(carbazol-9-yl)-12,18,22,28-tetraphenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23(35),24,26,30,32-tetradecaene.

Molecular Properties

• Compound Name: 15,25-di(carbazol-9-yl)-12,18,22,28-tetraphenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23(35),24,26,30,32-tetradecaene
• PubChem CID: 170778525
• Molecular Formula: C78H52B2N6
• Molecular Weight: 1094.94 g/mol
• Exact Mass: 1094.44
• IUPAC Name: 15,25-di(carbazol-9-yl)-12,18,22,28-tetraphenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23(35),24,26,30,32-tetradecaene
• SMILES: C1=CC2B3c4cc5c(cc4N(c4ccccc4)c4cc(-n6c7ccccc7c7ccccc76)cc(c43)N(c3ccccc3)C2C=C1)N(c1ccccc1)c1cc(-n2c3ccccc3c3ccccc32)cc2c1B5c1ccccc1N2c1ccccc1
• InChI: InChI=1S/C78H52B2N6/c1-5-25-51(26-6-1)81-69-43-23-17-37-61(69)79-63-49-64-72(50-71(63)83(53-29-9-3-10-30-53)75-47-55(45-73(81)77(75)79)85-65-39-19-13-33-57(65)58-34-14-20-40-66(58)85)84(54-31-11-4-12-32-54)76-48-56(86-67-41-21-15-35-59(67)60-36-16-22-42-68(60)86)46-74-78(76)80(64)62-38-18-24-44-70(62)82(74)52-27-7-2-8-28-52/h1-50,61,69H
• InChIKey: AVXBBEXFGSKLAY-UHFFFAOYSA-N
• XLogP: 16.37
• TPSA: 22.82 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1094.94
LogP ≤ 5	16.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 15,25-di(carbazol-9-yl)-12,18,22,28-tetraphenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23(35),24,26,30,32-tetradecaene?

The IUPAC name of 15,25-di(carbazol-9-yl)-12,18,22,28-tetraphenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23(35),24,26,30,32-tetradecaene (CID 170778525) is 15,25-di(carbazol-9-yl)-12,18,22,28-tetraphenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23(35),24,26,30,32-tetradecaene.

What is the SMILES notation for 15,25-di(carbazol-9-yl)-12,18,22,28-tetraphenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23(35),24,26,30,32-tetradecaene?

The canonical SMILES for 15,25-di(carbazol-9-yl)-12,18,22,28-tetraphenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23(35),24,26,30,32-tetradecaene is C1=CC2B3c4cc5c(cc4N(c4ccccc4)c4cc(-n6c7ccccc7c7ccccc76)cc(c43)N(c3ccccc3)C2C=C1)N(c1ccccc1)c1cc(-n2c3ccccc3c3ccccc32)cc2c1B5c1ccccc1N2c1ccccc1.

What is the InChIKey of 15,25-di(carbazol-9-yl)-12,18,22,28-tetraphenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23(35),24,26,30,32-tetradecaene?

The InChIKey is AVXBBEXFGSKLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H52B2N6/c1-5-25-51(26-6-1)81-69-43-23-17-37-61(69)79-63-49-64-72(50-71(63)83(53-29-9-3-10-30-53)75-47-55(45-73(81)77(75)79)85-65-39-19-13-33-57(65)58-34-14-20-40-66(58)85)84(54-31-11-4-12-32-54)76-48-56(86-67-41-21-15-35-59(67)60-36-16-22-42-68(60)86)46-74-78(76)80(64)62-38-18-24-44-70(62)82(74)52-27-7-2-8-28-52/h1-50,61,69H.

What are the key properties of 15,25-di(carbazol-9-yl)-12,18,22,28-tetraphenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23(35),24,26,30,32-tetradecaene?

15,25-di(carbazol-9-yl)-12,18,22,28-tetraphenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23(35),24,26,30,32-tetradecaene has a molecular weight of 1094.94 g/mol, XLogP of 16.37, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 15,25-di(carbazol-9-yl)-12,18,22,28-tetraphenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23(35),24,26,30,32-tetradecaene is sourced from PubChem (CID 170778525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).