3-[4-(3-chlorophenyl)phenyl]-9-phenylcarbazole;9-phenyl-3-[4-[3-(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

C78H76B3ClN2O6 — CID 157171197

About 3-[4-(3-chlorophenyl)phenyl]-9-phenylcarbazole;9-phenyl-3-[4-[3-(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

3-[4-(3-chlorophenyl)phenyl]-9-phenylcarbazole;9-phenyl-3-[4-[3-(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 157171197) has the molecular formula C78H76B3ClN2O6 and a molecular weight of 1205.36 g/mol. Its IUPAC name is 3-[4-(3-chlorophenyl)phenyl]-9-phenylcarbazole;9-phenyl-3-[4-[3-(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: 3-[4-(3-chlorophenyl)phenyl]-9-phenylcarbazole;9-phenyl-3-[4-[3-(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: 157171197
• Molecular Formula: C78H76B3ClN2O6
• Molecular Weight: 1205.36 g/mol
• Exact Mass: 1204.57
• IUPAC Name: 3-[4-(3-chlorophenyl)phenyl]-9-phenylcarbazole;9-phenyl-3-[4-[3-(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: CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cccc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c2)OC1(C)C.Clc1cccc(-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)c1
• InChI: InChI=1S/C36H32BNO2.C30H20ClN.C12H24B2O4/c1-35(2)36(3,4)40-37(39-35)29-12-10-11-27(23-29)25-17-19-26(20-18-25)28-21-22-34-32(24-28)31-15-8-9-16-33(31)38(34)30-13-6-5-7-14-30;31-25-8-6-7-23(19-25)21-13-15-22(16-14-21)24-17-18-30-28(20-24)27-11-4-5-12-29(27)32(30)26-9-2-1-3-10-26;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h5-24H,1-4H3;1-20H;1-8H3
• InChIKey: ANMFFXVMLBSXJK-UHFFFAOYSA-N
• XLogP: 19.44
• TPSA: 65.24 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1205.36
LogP ≤ 5	19.44
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 3-[4-(3-chlorophenyl)phenyl]-9-phenylcarbazole;9-phenyl-3-[4-[3-(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 3-[4-(3-chlorophenyl)phenyl]-9-phenylcarbazole;9-phenyl-3-[4-[3-(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 157171197) is 3-[4-(3-chlorophenyl)phenyl]-9-phenylcarbazole;9-phenyl-3-[4-[3-(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 3-[4-(3-chlorophenyl)phenyl]-9-phenylcarbazole;9-phenyl-3-[4-[3-(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 3-[4-(3-chlorophenyl)phenyl]-9-phenylcarbazole;9-phenyl-3-[4-[3-(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 CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cccc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c2)OC1(C)C.Clc1cccc(-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)c1.

What is the InChIKey of 3-[4-(3-chlorophenyl)phenyl]-9-phenylcarbazole;9-phenyl-3-[4-[3-(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 ANMFFXVMLBSXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32BNO2.C30H20ClN.C12H24B2O4/c1-35(2)36(3,4)40-37(39-35)29-12-10-11-27(23-29)25-17-19-26(20-18-25)28-21-22-34-32(24-28)31-15-8-9-16-33(31)38(34)30-13-6-5-7-14-30;31-25-8-6-7-23(19-25)21-13-15-22(16-14-21)24-17-18-30-28(20-24)27-11-4-5-12-29(27)32(30)26-9-2-1-3-10-26;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h5-24H,1-4H3;1-20H;1-8H3.

What are the key properties of 3-[4-(3-chlorophenyl)phenyl]-9-phenylcarbazole;9-phenyl-3-[4-[3-(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?

3-[4-(3-chlorophenyl)phenyl]-9-phenylcarbazole;9-phenyl-3-[4-[3-(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 1205.36 g/mol, XLogP of 19.44, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(3-chlorophenyl)phenyl]-9-phenylcarbazole;9-phenyl-3-[4-[3-(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 157171197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).