azanide;9-[4-(5-bromo-3-pyridinyl)phenyl]carbazole;10-[4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene

C100H72BBrN7O2- — CID 159477873

About azanide;9-[4-(5-bromo-3-pyridinyl)phenyl]carbazole;10-[4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene

azanide;9-[4-(5-bromo-3-pyridinyl)phenyl]carbazole;10-[4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene (PubChem CID 159477873) has the molecular formula C100H72BBrN7O2- and a molecular weight of 1494.44 g/mol. Its IUPAC name is azanide;9-[4-(5-bromo-3-pyridinyl)phenyl]carbazole;10-[4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene.

Molecular Properties

• Compound Name: azanide;9-[4-(5-bromo-3-pyridinyl)phenyl]carbazole;10-[4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
• PubChem CID: 159477873
• Molecular Formula: C100H72BBrN7O2-
• Molecular Weight: 1494.44 g/mol
• Exact Mass: 1492.50
• IUPAC Name: azanide;9-[4-(5-bromo-3-pyridinyl)phenyl]carbazole;10-[4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
• SMILES: Brc1cncc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1.CC1(C)OB(c2ccc(-c3cc4c5ccccc5n5c6ccccc6c(c3)c45)cc2)OC1(C)C.[NH2-].c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cncc(-c3ccc(-c4cc5c6ccccc6n6c7ccccc7c(c4)c56)cc3)c2)cc1
• InChI: InChI=1S/C47H29N3.C30H26BNO2.C23H15BrN2.H2N/c1-5-13-43-37(9-1)38-10-2-6-14-44(38)49(43)36-23-21-32(22-24-36)35-25-34(28-48-29-35)31-19-17-30(18-20-31)33-26-41-39-11-3-7-15-45(39)50-46-16-8-4-12-40(46)42(27-33)47(41)50;1-29(2)30(3,4)34-31(33-29)21-15-13-19(14-16-21)20-17-24-22-9-5-7-11-26(22)32-27-12-8-6-10-23(27)25(18-20)28(24)32;24-18-13-17(14-25-15-18)16-9-11-19(12-10-16)26-22-7-3-1-5-20(22)21-6-2-4-8-23(21)26;/h1-29H;5-18H,1-4H3;1-15H;1H2/q;;;-1
• InChIKey: UVDPLXVNIHPBCB-UHFFFAOYSA-N
• XLogP: 26.46
• TPSA: 96.42 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1494.44
LogP ≤ 5	26.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of azanide;9-[4-(5-bromo-3-pyridinyl)phenyl]carbazole;10-[4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?

The IUPAC name of azanide;9-[4-(5-bromo-3-pyridinyl)phenyl]carbazole;10-[4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene (CID 159477873) is azanide;9-[4-(5-bromo-3-pyridinyl)phenyl]carbazole;10-[4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene.

What is the SMILES notation for azanide;9-[4-(5-bromo-3-pyridinyl)phenyl]carbazole;10-[4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?

The canonical SMILES for azanide;9-[4-(5-bromo-3-pyridinyl)phenyl]carbazole;10-[4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene is Brc1cncc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1.CC1(C)OB(c2ccc(-c3cc4c5ccccc5n5c6ccccc6c(c3)c45)cc2)OC1(C)C.[NH2-].c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cncc(-c3ccc(-c4cc5c6ccccc6n6c7ccccc7c(c4)c56)cc3)c2)cc1.

What is the InChIKey of azanide;9-[4-(5-bromo-3-pyridinyl)phenyl]carbazole;10-[4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?

The InChIKey is UVDPLXVNIHPBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3.C30H26BNO2.C23H15BrN2.H2N/c1-5-13-43-37(9-1)38-10-2-6-14-44(38)49(43)36-23-21-32(22-24-36)35-25-34(28-48-29-35)31-19-17-30(18-20-31)33-26-41-39-11-3-7-15-45(39)50-46-16-8-4-12-40(46)42(27-33)47(41)50;1-29(2)30(3,4)34-31(33-29)21-15-13-19(14-16-21)20-17-24-22-9-5-7-11-26(22)32-27-12-8-6-10-23(27)25(18-20)28(24)32;24-18-13-17(14-25-15-18)16-9-11-19(12-10-16)26-22-7-3-1-5-20(22)21-6-2-4-8-23(21)26;/h1-29H;5-18H,1-4H3;1-15H;1H2/q;;;-1.

What are the key properties of azanide;9-[4-(5-bromo-3-pyridinyl)phenyl]carbazole;10-[4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?

azanide;9-[4-(5-bromo-3-pyridinyl)phenyl]carbazole;10-[4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene has a molecular weight of 1494.44 g/mol, XLogP of 26.46, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for azanide;9-[4-(5-bromo-3-pyridinyl)phenyl]carbazole;10-[4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene is sourced from PubChem (CID 159477873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).