9-[3-[6-(3-carbazol-9-ylphenyl)-2-chloropyrimidin-4-yl]phenyl]carbazole;9-[3-[6-(3-carbazol-9-ylphenyl)-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;(3-phenylphenyl)boronic acid

C104H70BClN8O2 — CID 162001771

About 9-[3-[6-(3-carbazol-9-ylphenyl)-2-chloropyrimidin-4-yl]phenyl]carbazole;9-[3-[6-(3-carbazol-9-ylphenyl)-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;(3-phenylphenyl)boronic acid

9-[3-[6-(3-carbazol-9-ylphenyl)-2-chloropyrimidin-4-yl]phenyl]carbazole;9-[3-[6-(3-carbazol-9-ylphenyl)-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;(3-phenylphenyl)boronic acid (PubChem CID 162001771) has the molecular formula C104H70BClN8O2 and a molecular weight of 1510.02 g/mol. Its IUPAC name is 9-[3-[6-(3-carbazol-9-ylphenyl)-2-chloropyrimidin-4-yl]phenyl]carbazole;9-[3-[6-(3-carbazol-9-ylphenyl)-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;(3-phenylphenyl)boronic acid.

Molecular Properties

• Compound Name: 9-[3-[6-(3-carbazol-9-ylphenyl)-2-chloropyrimidin-4-yl]phenyl]carbazole;9-[3-[6-(3-carbazol-9-ylphenyl)-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;(3-phenylphenyl)boronic acid
• PubChem CID: 162001771
• Molecular Formula: C104H70BClN8O2
• Molecular Weight: 1510.02 g/mol
• Exact Mass: 1508.54
• IUPAC Name: 9-[3-[6-(3-carbazol-9-ylphenyl)-2-chloropyrimidin-4-yl]phenyl]carbazole;9-[3-[6-(3-carbazol-9-ylphenyl)-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;(3-phenylphenyl)boronic acid
• SMILES: Clc1nc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)n1.OB(O)c1cccc(-c2ccccc2)c1.c1ccc(-c2cccc(-c3nc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)n3)c2)cc1
• InChI: InChI=1S/C52H34N4.C40H25ClN4.C12H11BO2/c1-2-15-35(16-3-1)36-17-12-20-39(31-36)52-53-46(37-18-13-21-40(32-37)55-48-27-8-4-23-42(48)43-24-5-9-28-49(43)55)34-47(54-52)38-19-14-22-41(33-38)56-50-29-10-6-25-44(50)45-26-7-11-30-51(45)56;41-40-42-34(26-11-9-13-28(23-26)44-36-19-5-1-15-30(36)31-16-2-6-20-37(31)44)25-35(43-40)27-12-10-14-29(24-27)45-38-21-7-3-17-32(38)33-18-4-8-22-39(33)45;14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-34H;1-25H;1-9,14-15H
• InChIKey: YSHRGQROJAENMT-UHFFFAOYSA-N
• XLogP: 25.03
• TPSA: 111.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1510.02
LogP ≤ 5	25.03
H-Bond Donors ≤ 5	2
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 9-[3-[6-(3-carbazol-9-ylphenyl)-2-chloropyrimidin-4-yl]phenyl]carbazole;9-[3-[6-(3-carbazol-9-ylphenyl)-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;(3-phenylphenyl)boronic acid?

The IUPAC name of 9-[3-[6-(3-carbazol-9-ylphenyl)-2-chloropyrimidin-4-yl]phenyl]carbazole;9-[3-[6-(3-carbazol-9-ylphenyl)-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;(3-phenylphenyl)boronic acid (CID 162001771) is 9-[3-[6-(3-carbazol-9-ylphenyl)-2-chloropyrimidin-4-yl]phenyl]carbazole;9-[3-[6-(3-carbazol-9-ylphenyl)-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;(3-phenylphenyl)boronic acid.

What is the SMILES notation for 9-[3-[6-(3-carbazol-9-ylphenyl)-2-chloropyrimidin-4-yl]phenyl]carbazole;9-[3-[6-(3-carbazol-9-ylphenyl)-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;(3-phenylphenyl)boronic acid?

The canonical SMILES for 9-[3-[6-(3-carbazol-9-ylphenyl)-2-chloropyrimidin-4-yl]phenyl]carbazole;9-[3-[6-(3-carbazol-9-ylphenyl)-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;(3-phenylphenyl)boronic acid is Clc1nc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)n1.OB(O)c1cccc(-c2ccccc2)c1.c1ccc(-c2cccc(-c3nc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)n3)c2)cc1.

What is the InChIKey of 9-[3-[6-(3-carbazol-9-ylphenyl)-2-chloropyrimidin-4-yl]phenyl]carbazole;9-[3-[6-(3-carbazol-9-ylphenyl)-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;(3-phenylphenyl)boronic acid?

The InChIKey is YSHRGQROJAENMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4.C40H25ClN4.C12H11BO2/c1-2-15-35(16-3-1)36-17-12-20-39(31-36)52-53-46(37-18-13-21-40(32-37)55-48-27-8-4-23-42(48)43-24-5-9-28-49(43)55)34-47(54-52)38-19-14-22-41(33-38)56-50-29-10-6-25-44(50)45-26-7-11-30-51(45)56;41-40-42-34(26-11-9-13-28(23-26)44-36-19-5-1-15-30(36)31-16-2-6-20-37(31)44)25-35(43-40)27-12-10-14-29(24-27)45-38-21-7-3-17-32(38)33-18-4-8-22-39(33)45;14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-34H;1-25H;1-9,14-15H.

What are the key properties of 9-[3-[6-(3-carbazol-9-ylphenyl)-2-chloropyrimidin-4-yl]phenyl]carbazole;9-[3-[6-(3-carbazol-9-ylphenyl)-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;(3-phenylphenyl)boronic acid?

9-[3-[6-(3-carbazol-9-ylphenyl)-2-chloropyrimidin-4-yl]phenyl]carbazole;9-[3-[6-(3-carbazol-9-ylphenyl)-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;(3-phenylphenyl)boronic acid has a molecular weight of 1510.02 g/mol, XLogP of 25.03, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[6-(3-carbazol-9-ylphenyl)-2-chloropyrimidin-4-yl]phenyl]carbazole;9-[3-[6-(3-carbazol-9-ylphenyl)-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;(3-phenylphenyl)boronic acid is sourced from PubChem (CID 162001771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).