bis(1-bromo-4-diphenylphosphorylbenzene);(4-bromophenyl)-diphenylphosphane;6-[4-(4-diphenylphosphorylphenyl)phenyl]benzimidazolo[1,2-c]quinazoline;6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazolo[1,2-c]quinazoline

C118H92BBr3N6O5P4 — CID 158011749

About bis(1-bromo-4-diphenylphosphorylbenzene);(4-bromophenyl)-diphenylphosphane;6-[4-(4-diphenylphosphorylphenyl)phenyl]benzimidazolo[1,2-c]quinazoline;6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazolo[1,2-c]quinazoline

bis(1-bromo-4-diphenylphosphorylbenzene);(4-bromophenyl)-diphenylphosphane;6-[4-(4-diphenylphosphorylphenyl)phenyl]benzimidazolo[1,2-c]quinazoline;6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazolo[1,2-c]quinazoline (PubChem CID 158011749) has the molecular formula C118H92BBr3N6O5P4 and a molecular weight of 2048.49 g/mol. Its IUPAC name is bis(1-bromo-4-diphenylphosphorylbenzene);(4-bromophenyl)-diphenylphosphane;6-[4-(4-diphenylphosphorylphenyl)phenyl]benzimidazolo[1,2-c]quinazoline;6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazolo[1,2-c]quinazoline.

Molecular Properties

• Compound Name: bis(1-bromo-4-diphenylphosphorylbenzene);(4-bromophenyl)-diphenylphosphane;6-[4-(4-diphenylphosphorylphenyl)phenyl]benzimidazolo[1,2-c]quinazoline;6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazolo[1,2-c]quinazoline
• PubChem CID: 158011749
• Molecular Formula: C118H92BBr3N6O5P4
• Molecular Weight: 2048.49 g/mol
• Exact Mass: 2044.37
• IUPAC Name: bis(1-bromo-4-diphenylphosphorylbenzene);(4-bromophenyl)-diphenylphosphane;6-[4-(4-diphenylphosphorylphenyl)phenyl]benzimidazolo[1,2-c]quinazoline;6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazolo[1,2-c]quinazoline
• SMILES: Brc1ccc(P(c2ccccc2)c2ccccc2)cc1.CC1(C)OB(c2ccc(-c3nc4ccccc4c4nc5ccccc5n34)cc2)OC1(C)C.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(-c3nc4ccccc4c4nc5ccccc5n34)cc2)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(Br)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(Br)cc1
• InChI: InChI=1S/C38H26N3OP.C26H24BN3O2.2C18H14BrOP.C18H14BrP/c42-43(30-11-3-1-4-12-30,31-13-5-2-6-14-31)32-25-23-28(24-26-32)27-19-21-29(22-20-27)37-39-34-16-8-7-15-33(34)38-40-35-17-9-10-18-36(35)41(37)38;1-25(2)26(3,4)32-27(31-25)18-15-13-17(14-16-18)23-28-20-10-6-5-9-19(20)24-29-21-11-7-8-12-22(21)30(23)24;2*19-15-11-13-18(14-12-15)21(20,16-7-3-1-4-8-16)17-9-5-2-6-10-17;19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-26H;5-16H,1-4H3;2*1-14H;1-14H
• InChIKey: FEYXQNUGUBJOBC-UHFFFAOYSA-N
• XLogP: 25.40
• TPSA: 130.05 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 16
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2048.49
LogP ≤ 5	25.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(1-bromo-4-diphenylphosphorylbenzene);(4-bromophenyl)-diphenylphosphane;6-[4-(4-diphenylphosphorylphenyl)phenyl]benzimidazolo[1,2-c]quinazoline;6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazolo[1,2-c]quinazoline?

The IUPAC name of bis(1-bromo-4-diphenylphosphorylbenzene);(4-bromophenyl)-diphenylphosphane;6-[4-(4-diphenylphosphorylphenyl)phenyl]benzimidazolo[1,2-c]quinazoline;6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazolo[1,2-c]quinazoline (CID 158011749) is bis(1-bromo-4-diphenylphosphorylbenzene);(4-bromophenyl)-diphenylphosphane;6-[4-(4-diphenylphosphorylphenyl)phenyl]benzimidazolo[1,2-c]quinazoline;6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazolo[1,2-c]quinazoline.

What is the SMILES notation for bis(1-bromo-4-diphenylphosphorylbenzene);(4-bromophenyl)-diphenylphosphane;6-[4-(4-diphenylphosphorylphenyl)phenyl]benzimidazolo[1,2-c]quinazoline;6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazolo[1,2-c]quinazoline?

The canonical SMILES for bis(1-bromo-4-diphenylphosphorylbenzene);(4-bromophenyl)-diphenylphosphane;6-[4-(4-diphenylphosphorylphenyl)phenyl]benzimidazolo[1,2-c]quinazoline;6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazolo[1,2-c]quinazoline is Brc1ccc(P(c2ccccc2)c2ccccc2)cc1.CC1(C)OB(c2ccc(-c3nc4ccccc4c4nc5ccccc5n34)cc2)OC1(C)C.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(-c3nc4ccccc4c4nc5ccccc5n34)cc2)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(Br)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(Br)cc1.

What is the InChIKey of bis(1-bromo-4-diphenylphosphorylbenzene);(4-bromophenyl)-diphenylphosphane;6-[4-(4-diphenylphosphorylphenyl)phenyl]benzimidazolo[1,2-c]quinazoline;6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazolo[1,2-c]quinazoline?

The InChIKey is FEYXQNUGUBJOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N3OP.C26H24BN3O2.2C18H14BrOP.C18H14BrP/c42-43(30-11-3-1-4-12-30,31-13-5-2-6-14-31)32-25-23-28(24-26-32)27-19-21-29(22-20-27)37-39-34-16-8-7-15-33(34)38-40-35-17-9-10-18-36(35)41(37)38;1-25(2)26(3,4)32-27(31-25)18-15-13-17(14-16-18)23-28-20-10-6-5-9-19(20)24-29-21-11-7-8-12-22(21)30(23)24;2*19-15-11-13-18(14-12-15)21(20,16-7-3-1-4-8-16)17-9-5-2-6-10-17;19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-26H;5-16H,1-4H3;2*1-14H;1-14H.

What are the key properties of bis(1-bromo-4-diphenylphosphorylbenzene);(4-bromophenyl)-diphenylphosphane;6-[4-(4-diphenylphosphorylphenyl)phenyl]benzimidazolo[1,2-c]quinazoline;6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazolo[1,2-c]quinazoline?

bis(1-bromo-4-diphenylphosphorylbenzene);(4-bromophenyl)-diphenylphosphane;6-[4-(4-diphenylphosphorylphenyl)phenyl]benzimidazolo[1,2-c]quinazoline;6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazolo[1,2-c]quinazoline has a molecular weight of 2048.49 g/mol, XLogP of 25.40, 16 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-bromo-4-diphenylphosphorylbenzene);(4-bromophenyl)-diphenylphosphane;6-[4-(4-diphenylphosphorylphenyl)phenyl]benzimidazolo[1,2-c]quinazoline;6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 158011749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).