bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;2-bromo-4-phenanthren-9-yl-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline;4-phenanthren-9-yl-2-phenyl-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline;phenylboronic acid

C84H66BBrN10O2P12 — CID 165072739

About bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;2-bromo-4-phenanthren-9-yl-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline;4-phenanthren-9-yl-2-phenyl-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline;phenylboronic acid

bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;2-bromo-4-phenanthren-9-yl-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline;4-phenanthren-9-yl-2-phenyl-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline;phenylboronic acid (PubChem CID 165072739) has the molecular formula C84H66BBrN10O2P12 and a molecular weight of 1709.92 g/mol. Its IUPAC name is bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;2-bromo-4-phenanthren-9-yl-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline;4-phenanthren-9-yl-2-phenyl-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline;phenylboronic acid.

Molecular Properties

• Compound Name: bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;2-bromo-4-phenanthren-9-yl-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline;4-phenanthren-9-yl-2-phenyl-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline;phenylboronic acid
• PubChem CID: 165072739
• Molecular Formula: C84H66BBrN10O2P12
• Molecular Weight: 1709.92 g/mol
• Exact Mass: 1708.15
• IUPAC Name: bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;2-bromo-4-phenanthren-9-yl-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline;4-phenanthren-9-yl-2-phenyl-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline;phenylboronic acid
• SMILES: Brc1nc(-c2cc3ccccc3c3ccccc23)c2ccc3ccc(-n4c5ccccc5c5cccnc54)nc3c2n1.OB(O)c1ccccc1.PP(P)P(P)P(P(P)P)P(P)P.c1ccc(-c2nc(-c3cc4ccccc4c4ccccc34)c3ccc4ccc(-n5c6ccccc6c6cccnc65)nc4c3n2)cc1
• InChI: InChI=1S/C42H25N5.C36H20BrN5.C6H7BO2.H14P12/c1-2-11-27(12-3-1)41-45-39(35-25-28-13-4-5-14-29(28)30-15-6-7-16-31(30)35)34-22-20-26-21-23-37(44-38(26)40(34)46-41)47-36-19-9-8-17-32(36)33-18-10-24-43-42(33)47;37-36-40-33(29-20-22-8-1-2-9-23(22)24-10-3-4-11-25(24)29)28-17-15-21-16-18-31(39-32(21)34(28)41-36)42-30-14-6-5-12-26(30)27-13-7-19-38-35(27)42;8-7(9)6-4-2-1-3-5-6;1-8(2)11(7)12(9(3)4)10(5)6/h1-25H;1-20H;1-5,8-9H;1-7H2
• InChIKey: TUNMUMMNLRMODX-UHFFFAOYSA-N
• XLogP: 25.67
• TPSA: 153.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1709.92
LogP ≤ 5	25.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;2-bromo-4-phenanthren-9-yl-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline;4-phenanthren-9-yl-2-phenyl-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline;phenylboronic acid?

The IUPAC name of bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;2-bromo-4-phenanthren-9-yl-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline;4-phenanthren-9-yl-2-phenyl-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline;phenylboronic acid (CID 165072739) is bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;2-bromo-4-phenanthren-9-yl-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline;4-phenanthren-9-yl-2-phenyl-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline;phenylboronic acid.

What is the SMILES notation for bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;2-bromo-4-phenanthren-9-yl-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline;4-phenanthren-9-yl-2-phenyl-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline;phenylboronic acid?

The canonical SMILES for bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;2-bromo-4-phenanthren-9-yl-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline;4-phenanthren-9-yl-2-phenyl-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline;phenylboronic acid is Brc1nc(-c2cc3ccccc3c3ccccc23)c2ccc3ccc(-n4c5ccccc5c5cccnc54)nc3c2n1.OB(O)c1ccccc1.PP(P)P(P)P(P(P)P)P(P)P.c1ccc(-c2nc(-c3cc4ccccc4c4ccccc34)c3ccc4ccc(-n5c6ccccc6c6cccnc65)nc4c3n2)cc1.

What is the InChIKey of bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;2-bromo-4-phenanthren-9-yl-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline;4-phenanthren-9-yl-2-phenyl-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline;phenylboronic acid?

The InChIKey is TUNMUMMNLRMODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25N5.C36H20BrN5.C6H7BO2.H14P12/c1-2-11-27(12-3-1)41-45-39(35-25-28-13-4-5-14-29(28)30-15-6-7-16-31(30)35)34-22-20-26-21-23-37(44-38(26)40(34)46-41)47-36-19-9-8-17-32(36)33-18-10-24-43-42(33)47;37-36-40-33(29-20-22-8-1-2-9-23(22)24-10-3-4-11-25(24)29)28-17-15-21-16-18-31(39-32(21)34(28)41-36)42-30-14-6-5-12-26(30)27-13-7-19-38-35(27)42;8-7(9)6-4-2-1-3-5-6;1-8(2)11(7)12(9(3)4)10(5)6/h1-25H;1-20H;1-5,8-9H;1-7H2.

What are the key properties of bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;2-bromo-4-phenanthren-9-yl-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline;4-phenanthren-9-yl-2-phenyl-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline;phenylboronic acid?

bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;2-bromo-4-phenanthren-9-yl-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline;4-phenanthren-9-yl-2-phenyl-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline;phenylboronic acid has a molecular weight of 1709.92 g/mol, XLogP of 25.67, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;2-bromo-4-phenanthren-9-yl-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline;4-phenanthren-9-yl-2-phenyl-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline;phenylboronic acid is sourced from PubChem (CID 165072739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).