3-bromo-6,9-diphenylcarbazole;3-(9H-carbazol-3-yl)-6,9-diphenylcarbazole;3,6-dibromo-9-phenylcarbazole;(6,9-diphenylcarbazol-3-yl)boronic acid;3,9-diphenyl-6-[9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazol-3-yl]carbazole

C160H107BBr3N9O2 — CID 159531032

About 3-bromo-6,9-diphenylcarbazole;3-(9H-carbazol-3-yl)-6,9-diphenylcarbazole;3,6-dibromo-9-phenylcarbazole;(6,9-diphenylcarbazol-3-yl)boronic acid;3,9-diphenyl-6-[9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazol-3-yl]carbazole

3-bromo-6,9-diphenylcarbazole;3-(9H-carbazol-3-yl)-6,9-diphenylcarbazole;3,6-dibromo-9-phenylcarbazole;(6,9-diphenylcarbazol-3-yl)boronic acid;3,9-diphenyl-6-[9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazol-3-yl]carbazole (PubChem CID 159531032) has the molecular formula C160H107BBr3N9O2 and a molecular weight of 2438.20 g/mol. Its IUPAC name is 3-bromo-6,9-diphenylcarbazole;3-(9H-carbazol-3-yl)-6,9-diphenylcarbazole;3,6-dibromo-9-phenylcarbazole;(6,9-diphenylcarbazol-3-yl)boronic acid;3,9-diphenyl-6-[9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazol-3-yl]carbazole.

Molecular Properties

• Compound Name: 3-bromo-6,9-diphenylcarbazole;3-(9H-carbazol-3-yl)-6,9-diphenylcarbazole;3,6-dibromo-9-phenylcarbazole;(6,9-diphenylcarbazol-3-yl)boronic acid;3,9-diphenyl-6-[9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazol-3-yl]carbazole
• PubChem CID: 159531032
• Molecular Formula: C160H107BBr3N9O2
• Molecular Weight: 2438.20 g/mol
• Exact Mass: 2433.62
• IUPAC Name: 3-bromo-6,9-diphenylcarbazole;3-(9H-carbazol-3-yl)-6,9-diphenylcarbazole;3,6-dibromo-9-phenylcarbazole;(6,9-diphenylcarbazol-3-yl)boronic acid;3,9-diphenyl-6-[9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazol-3-yl]carbazole
• SMILES: Brc1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1ccccc1.Brc1ccc2c(c1)c1cc(Br)ccc1n2-c1ccccc1.OB(O)c1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1ccccc1.c1ccc(-c2ccc(-c3cccc(-c4ccnc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7cc(-c9ccccc9)ccc7n8-c7ccccc7)ccc65)n4)c3)cc2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5[nH]c6ccccc6c5c4)ccc2n3-c2ccccc2)cc1
• InChI: InChI=1S/C58H38N4.C36H24N2.C24H18BNO2.C24H16BrN.C18H11Br2N/c1-4-13-39(14-5-1)41-23-25-42(26-24-41)43-17-12-18-47(35-43)53-33-34-59-58(60-53)62-54-22-11-10-21-49(54)50-37-45(29-32-57(50)62)46-28-31-56-52(38-46)51-36-44(40-15-6-2-7-16-40)27-30-55(51)61(56)48-19-8-3-9-20-48;1-3-9-24(10-4-1)25-16-19-35-31(22-25)32-23-27(17-20-36(32)38(35)28-11-5-2-6-12-28)26-15-18-34-30(21-26)29-13-7-8-14-33(29)37-34;27-25(28)19-12-14-24-22(16-19)21-15-18(17-7-3-1-4-8-17)11-13-23(21)26(24)20-9-5-2-6-10-20;25-19-12-14-24-22(16-19)21-15-18(17-7-3-1-4-8-17)11-13-23(21)26(24)20-9-5-2-6-10-20;19-12-6-8-17-15(10-12)16-11-13(20)7-9-18(16)21(17)14-4-2-1-3-5-14/h1-38H;1-23,37H;1-16,27-28H;1-16H;1-11H
• InChIKey: MCZOUYAPXOHVGE-UHFFFAOYSA-N
• XLogP: 42.41
• TPSA: 111.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2438.20
LogP ≤ 5	42.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6,9-diphenylcarbazole;3-(9H-carbazol-3-yl)-6,9-diphenylcarbazole;3,6-dibromo-9-phenylcarbazole;(6,9-diphenylcarbazol-3-yl)boronic acid;3,9-diphenyl-6-[9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazol-3-yl]carbazole?

The IUPAC name of 3-bromo-6,9-diphenylcarbazole;3-(9H-carbazol-3-yl)-6,9-diphenylcarbazole;3,6-dibromo-9-phenylcarbazole;(6,9-diphenylcarbazol-3-yl)boronic acid;3,9-diphenyl-6-[9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazol-3-yl]carbazole (CID 159531032) is 3-bromo-6,9-diphenylcarbazole;3-(9H-carbazol-3-yl)-6,9-diphenylcarbazole;3,6-dibromo-9-phenylcarbazole;(6,9-diphenylcarbazol-3-yl)boronic acid;3,9-diphenyl-6-[9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazol-3-yl]carbazole.

What is the SMILES notation for 3-bromo-6,9-diphenylcarbazole;3-(9H-carbazol-3-yl)-6,9-diphenylcarbazole;3,6-dibromo-9-phenylcarbazole;(6,9-diphenylcarbazol-3-yl)boronic acid;3,9-diphenyl-6-[9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazol-3-yl]carbazole?

The canonical SMILES for 3-bromo-6,9-diphenylcarbazole;3-(9H-carbazol-3-yl)-6,9-diphenylcarbazole;3,6-dibromo-9-phenylcarbazole;(6,9-diphenylcarbazol-3-yl)boronic acid;3,9-diphenyl-6-[9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazol-3-yl]carbazole is Brc1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1ccccc1.Brc1ccc2c(c1)c1cc(Br)ccc1n2-c1ccccc1.OB(O)c1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1ccccc1.c1ccc(-c2ccc(-c3cccc(-c4ccnc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7cc(-c9ccccc9)ccc7n8-c7ccccc7)ccc65)n4)c3)cc2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5[nH]c6ccccc6c5c4)ccc2n3-c2ccccc2)cc1.

What is the InChIKey of 3-bromo-6,9-diphenylcarbazole;3-(9H-carbazol-3-yl)-6,9-diphenylcarbazole;3,6-dibromo-9-phenylcarbazole;(6,9-diphenylcarbazol-3-yl)boronic acid;3,9-diphenyl-6-[9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazol-3-yl]carbazole?

The InChIKey is MCZOUYAPXOHVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N4.C36H24N2.C24H18BNO2.C24H16BrN.C18H11Br2N/c1-4-13-39(14-5-1)41-23-25-42(26-24-41)43-17-12-18-47(35-43)53-33-34-59-58(60-53)62-54-22-11-10-21-49(54)50-37-45(29-32-57(50)62)46-28-31-56-52(38-46)51-36-44(40-15-6-2-7-16-40)27-30-55(51)61(56)48-19-8-3-9-20-48;1-3-9-24(10-4-1)25-16-19-35-31(22-25)32-23-27(17-20-36(32)38(35)28-11-5-2-6-12-28)26-15-18-34-30(21-26)29-13-7-8-14-33(29)37-34;27-25(28)19-12-14-24-22(16-19)21-15-18(17-7-3-1-4-8-17)11-13-23(21)26(24)20-9-5-2-6-10-20;25-19-12-14-24-22(16-19)21-15-18(17-7-3-1-4-8-17)11-13-23(21)26(24)20-9-5-2-6-10-20;19-12-6-8-17-15(10-12)16-11-13(20)7-9-18(16)21(17)14-4-2-1-3-5-14/h1-38H;1-23,37H;1-16,27-28H;1-16H;1-11H.

What are the key properties of 3-bromo-6,9-diphenylcarbazole;3-(9H-carbazol-3-yl)-6,9-diphenylcarbazole;3,6-dibromo-9-phenylcarbazole;(6,9-diphenylcarbazol-3-yl)boronic acid;3,9-diphenyl-6-[9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazol-3-yl]carbazole?

3-bromo-6,9-diphenylcarbazole;3-(9H-carbazol-3-yl)-6,9-diphenylcarbazole;3,6-dibromo-9-phenylcarbazole;(6,9-diphenylcarbazol-3-yl)boronic acid;3,9-diphenyl-6-[9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazol-3-yl]carbazole has a molecular weight of 2438.20 g/mol, XLogP of 42.41, 16 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-6,9-diphenylcarbazole;3-(9H-carbazol-3-yl)-6,9-diphenylcarbazole;3,6-dibromo-9-phenylcarbazole;(6,9-diphenylcarbazol-3-yl)boronic acid;3,9-diphenyl-6-[9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazol-3-yl]carbazole is sourced from PubChem (CID 159531032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).