2-[3-(4-bromophenyl)phenyl]-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-2-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C90H84B3BrN2O6 — CID 157378064

About 2-[3-(4-bromophenyl)phenyl]-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-2-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

2-[3-(4-bromophenyl)phenyl]-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-2-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 157378064) has the molecular formula C90H84B3BrN2O6 and a molecular weight of 1402.01 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)phenyl]-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-2-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 2-[3-(4-bromophenyl)phenyl]-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-2-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 157378064
• Molecular Formula: C90H84B3BrN2O6
• Molecular Weight: 1402.01 g/mol
• Exact Mass: 1400.58
• IUPAC Name: 2-[3-(4-bromophenyl)phenyl]-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-2-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: Brc1ccc(-c2cccc(-c3ccc4c5ccccc5n(-c5cccc(-c6ccccc6)c5)c4c3)c2)cc1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(-c3cccc(-c4ccc5c6ccccc6n(-c6cccc(-c7ccccc7)c6)c5c4)c3)cc2)OC1(C)C
• InChI: InChI=1S/C42H36BNO2.C36H24BrN.C12H24B2O4/c1-41(2)42(3,4)46-43(45-41)35-23-20-30(21-24-35)31-14-10-15-32(26-31)34-22-25-38-37-18-8-9-19-39(37)44(40(38)28-34)36-17-11-16-33(27-36)29-12-6-5-7-13-29;37-31-19-16-26(17-20-31)27-10-6-11-28(22-27)30-18-21-34-33-14-4-5-15-35(33)38(36(34)24-30)32-13-7-12-29(23-32)25-8-2-1-3-9-25;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h5-28H,1-4H3;1-24H;1-8H3
• InChIKey: BKNWKYILETYFIX-UHFFFAOYSA-N
• XLogP: 22.88
• TPSA: 65.24 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1402.01
LogP ≤ 5	22.88
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 2-[3-(4-bromophenyl)phenyl]-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-2-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 2-[3-(4-bromophenyl)phenyl]-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-2-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 157378064) is 2-[3-(4-bromophenyl)phenyl]-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-2-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 2-[3-(4-bromophenyl)phenyl]-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-2-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 2-[3-(4-bromophenyl)phenyl]-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-2-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is Brc1ccc(-c2cccc(-c3ccc4c5ccccc5n(-c5cccc(-c6ccccc6)c5)c4c3)c2)cc1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(-c3cccc(-c4ccc5c6ccccc6n(-c6cccc(-c7ccccc7)c6)c5c4)c3)cc2)OC1(C)C.

What is the InChIKey of 2-[3-(4-bromophenyl)phenyl]-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-2-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is BKNWKYILETYFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H36BNO2.C36H24BrN.C12H24B2O4/c1-41(2)42(3,4)46-43(45-41)35-23-20-30(21-24-35)31-14-10-15-32(26-31)34-22-25-38-37-18-8-9-19-39(37)44(40(38)28-34)36-17-11-16-33(27-36)29-12-6-5-7-13-29;37-31-19-16-26(17-20-31)27-10-6-11-28(22-27)30-18-21-34-33-14-4-5-15-35(33)38(36(34)24-30)32-13-7-12-29(23-32)25-8-2-1-3-9-25;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h5-28H,1-4H3;1-24H;1-8H3.

What are the key properties of 2-[3-(4-bromophenyl)phenyl]-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-2-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

2-[3-(4-bromophenyl)phenyl]-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-2-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 1402.01 g/mol, XLogP of 22.88, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(4-bromophenyl)phenyl]-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-2-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 157378064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).