9-[4-(5-bromo-2-pyridinyl)phenyl]carbazole;9-[4-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]carbazole;bis(9-[4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]phenyl]carbazole)

C127H99B2BrN10O4 — CID 159205761

About 9-[4-(5-bromo-2-pyridinyl)phenyl]carbazole;9-[4-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]carbazole;bis(9-[4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]phenyl]carbazole)

9-[4-(5-bromo-2-pyridinyl)phenyl]carbazole;9-[4-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]carbazole;bis(9-[4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]phenyl]carbazole) (PubChem CID 159205761) has the molecular formula C127H99B2BrN10O4 and a molecular weight of 1930.78 g/mol. Its IUPAC name is 9-[4-(5-bromo-2-pyridinyl)phenyl]carbazole;9-[4-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]carbazole;bis(9-[4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]phenyl]carbazole).

Molecular Properties

• Compound Name: 9-[4-(5-bromo-2-pyridinyl)phenyl]carbazole;9-[4-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]carbazole;bis(9-[4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]phenyl]carbazole)
• PubChem CID: 159205761
• Molecular Formula: C127H99B2BrN10O4
• Molecular Weight: 1930.78 g/mol
• Exact Mass: 1928.72
• IUPAC Name: 9-[4-(5-bromo-2-pyridinyl)phenyl]carbazole;9-[4-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]carbazole;bis(9-[4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]phenyl]carbazole)
• SMILES: Brc1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)nc1.CC1(C)OB(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc2)OC1(C)C.CC1(C)OB(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc2)OC1(C)C.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc3)cn2)cc1
• InChI: InChI=1S/C46H30N4.2C29H27BN2O2.C23H15BrN2/c1-5-13-43-37(9-1)38-10-2-6-14-44(38)49(43)35-23-17-31(18-24-35)41-27-21-33(29-47-41)34-22-28-42(48-30-34)32-19-25-36(26-20-32)50-45-15-7-3-11-39(45)40-12-4-8-16-46(40)50;2*1-28(2)29(3,4)34-30(33-28)21-15-18-25(31-19-21)20-13-16-22(17-14-20)32-26-11-7-5-9-23(26)24-10-6-8-12-27(24)32;24-17-11-14-21(25-15-17)16-9-12-18(13-10-16)26-22-7-3-1-5-19(22)20-6-2-4-8-23(20)26/h1-30H;2*5-19H,1-4H3;1-15H
• InChIKey: KPWAYPDWOUOBDY-UHFFFAOYSA-N
• XLogP: 30.57
• TPSA: 126.02 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 13
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1930.78
LogP ≤ 5	30.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[4-(5-bromo-2-pyridinyl)phenyl]carbazole;9-[4-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]carbazole;bis(9-[4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]phenyl]carbazole)?

The IUPAC name of 9-[4-(5-bromo-2-pyridinyl)phenyl]carbazole;9-[4-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]carbazole;bis(9-[4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]phenyl]carbazole) (CID 159205761) is 9-[4-(5-bromo-2-pyridinyl)phenyl]carbazole;9-[4-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]carbazole;bis(9-[4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]phenyl]carbazole).

What is the SMILES notation for 9-[4-(5-bromo-2-pyridinyl)phenyl]carbazole;9-[4-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]carbazole;bis(9-[4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]phenyl]carbazole)?

The canonical SMILES for 9-[4-(5-bromo-2-pyridinyl)phenyl]carbazole;9-[4-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]carbazole;bis(9-[4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]phenyl]carbazole) is Brc1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)nc1.CC1(C)OB(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc2)OC1(C)C.CC1(C)OB(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc2)OC1(C)C.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc3)cn2)cc1.

What is the InChIKey of 9-[4-(5-bromo-2-pyridinyl)phenyl]carbazole;9-[4-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]carbazole;bis(9-[4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]phenyl]carbazole)?

The InChIKey is KPWAYPDWOUOBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4.2C29H27BN2O2.C23H15BrN2/c1-5-13-43-37(9-1)38-10-2-6-14-44(38)49(43)35-23-17-31(18-24-35)41-27-21-33(29-47-41)34-22-28-42(48-30-34)32-19-25-36(26-20-32)50-45-15-7-3-11-39(45)40-12-4-8-16-46(40)50;2*1-28(2)29(3,4)34-30(33-28)21-15-18-25(31-19-21)20-13-16-22(17-14-20)32-26-11-7-5-9-23(26)24-10-6-8-12-27(24)32;24-17-11-14-21(25-15-17)16-9-12-18(13-10-16)26-22-7-3-1-5-19(22)20-6-2-4-8-23(20)26/h1-30H;2*5-19H,1-4H3;1-15H.

What are the key properties of 9-[4-(5-bromo-2-pyridinyl)phenyl]carbazole;9-[4-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]carbazole;bis(9-[4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]phenyl]carbazole)?

9-[4-(5-bromo-2-pyridinyl)phenyl]carbazole;9-[4-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]carbazole;bis(9-[4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]phenyl]carbazole) has a molecular weight of 1930.78 g/mol, XLogP of 30.57, 13 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(5-bromo-2-pyridinyl)phenyl]carbazole;9-[4-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]carbazole;bis(9-[4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]phenyl]carbazole) is sourced from PubChem (CID 159205761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).