2-[4-[3,5-bis[4-[2-oxo-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphol-2-yl]phenyl]phenyl]phenyl]-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[4-[4,6-bis[4-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide

C189H135N15O6P6 — CID 161385436

About 2-[4-[3,5-bis[4-[2-oxo-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphol-2-yl]phenyl]phenyl]phenyl]-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[4-[4,6-bis[4-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide

2-[4-[3,5-bis[4-[2-oxo-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphol-2-yl]phenyl]phenyl]phenyl]-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[4-[4,6-bis[4-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide (PubChem CID 161385436) has the molecular formula C189H135N15O6P6 and a molecular weight of 2898.10 g/mol. Its IUPAC name is 2-[4-[3,5-bis[4-[2-oxo-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphol-2-yl]phenyl]phenyl]phenyl]-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[4-[4,6-bis[4-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide.

Molecular Properties

• Compound Name: 2-[4-[3,5-bis[4-[2-oxo-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphol-2-yl]phenyl]phenyl]phenyl]-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[4-[4,6-bis[4-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide
• PubChem CID: 161385436
• Molecular Formula: C189H135N15O6P6
• Molecular Weight: 2898.10 g/mol
• Exact Mass: 2895.91
• IUPAC Name: 2-[4-[3,5-bis[4-[2-oxo-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphol-2-yl]phenyl]phenyl]phenyl]-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[4-[4,6-bis[4-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide
• SMILES: O=P1(c2ccc(-c3cc(-c4ccc(P5(=O)N(c6cccc(-c7ccccc7)c6)c6ccccc6N5c5cccc(-c6ccccc6)c5)cc4)cc(-c4ccc(P5(=O)N(c6cccc(-c7ccccc7)c6)c6ccccc6N5c5cccc(-c6ccccc6)c5)cc4)c3)cc2)N(c2cccc(-c3ccccc3)c2)c2ccccc2N1c1cccc(-c2ccccc2)c1.O=P1(c2ccc(-c3nc(-c4ccc(P5(=O)N(c6ccccc6)c6ccccc6N5c5ccccc5)cc4)nc(-c4ccc(P5(=O)N(c6ccccc6)c6ccccc6N5c5ccccc5)cc4)n3)cc2)N(c2ccccc2)c2ccccc2N1c1ccccc1
• InChI: InChI=1S/C114H81N6O3P3.C75H54N9O3P3/c121-124(115(100-49-25-43-91(76-100)82-31-7-1-8-32-82)109-55-19-20-56-110(109)116(124)101-50-26-44-92(77-101)83-33-9-2-10-34-83)106-67-61-88(62-68-106)97-73-98(89-63-69-107(70-64-89)125(122)117(102-51-27-45-93(78-102)84-35-11-3-12-36-84)111-57-21-22-58-112(111)118(125)103-52-28-46-94(79-103)85-37-13-4-14-38-85)75-99(74-97)90-65-71-108(72-66-90)126(123)119(104-53-29-47-95(80-104)86-39-15-5-16-40-86)113-59-23-24-60-114(113)120(126)105-54-30-48-96(81-105)87-41-17-6-18-42-87;85-88(79(58-25-7-1-8-26-58)67-37-19-20-38-68(67)80(88)59-27-9-2-10-28-59)64-49-43-55(44-50-64)73-76-74(56-45-51-65(52-46-56)89(86)81(60-29-11-3-12-30-60)69-39-21-22-40-70(69)82(89)61-31-13-4-14-32-61)78-75(77-73)57-47-53-66(54-48-57)90(87)83(62-33-15-5-16-34-62)71-41-23-24-42-72(71)84(90)63-35-17-6-18-36-63/h1-81H;1-54H
• InChIKey: VSGWKKRVXTYFOR-UHFFFAOYSA-N
• XLogP: 50.41
• TPSA: 179.97 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 30
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2898.10
LogP ≤ 5	50.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3,5-bis[4-[2-oxo-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphol-2-yl]phenyl]phenyl]phenyl]-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[4-[4,6-bis[4-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide?

The IUPAC name of 2-[4-[3,5-bis[4-[2-oxo-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphol-2-yl]phenyl]phenyl]phenyl]-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[4-[4,6-bis[4-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide (CID 161385436) is 2-[4-[3,5-bis[4-[2-oxo-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphol-2-yl]phenyl]phenyl]phenyl]-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[4-[4,6-bis[4-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide.

What is the SMILES notation for 2-[4-[3,5-bis[4-[2-oxo-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphol-2-yl]phenyl]phenyl]phenyl]-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[4-[4,6-bis[4-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide?

The canonical SMILES for 2-[4-[3,5-bis[4-[2-oxo-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphol-2-yl]phenyl]phenyl]phenyl]-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[4-[4,6-bis[4-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide is O=P1(c2ccc(-c3cc(-c4ccc(P5(=O)N(c6cccc(-c7ccccc7)c6)c6ccccc6N5c5cccc(-c6ccccc6)c5)cc4)cc(-c4ccc(P5(=O)N(c6cccc(-c7ccccc7)c6)c6ccccc6N5c5cccc(-c6ccccc6)c5)cc4)c3)cc2)N(c2cccc(-c3ccccc3)c2)c2ccccc2N1c1cccc(-c2ccccc2)c1.O=P1(c2ccc(-c3nc(-c4ccc(P5(=O)N(c6ccccc6)c6ccccc6N5c5ccccc5)cc4)nc(-c4ccc(P5(=O)N(c6ccccc6)c6ccccc6N5c5ccccc5)cc4)n3)cc2)N(c2ccccc2)c2ccccc2N1c1ccccc1.

What is the InChIKey of 2-[4-[3,5-bis[4-[2-oxo-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphol-2-yl]phenyl]phenyl]phenyl]-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[4-[4,6-bis[4-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide?

The InChIKey is VSGWKKRVXTYFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C114H81N6O3P3.C75H54N9O3P3/c121-124(115(100-49-25-43-91(76-100)82-31-7-1-8-32-82)109-55-19-20-56-110(109)116(124)101-50-26-44-92(77-101)83-33-9-2-10-34-83)106-67-61-88(62-68-106)97-73-98(89-63-69-107(70-64-89)125(122)117(102-51-27-45-93(78-102)84-35-11-3-12-36-84)111-57-21-22-58-112(111)118(125)103-52-28-46-94(79-103)85-37-13-4-14-38-85)75-99(74-97)90-65-71-108(72-66-90)126(123)119(104-53-29-47-95(80-104)86-39-15-5-16-40-86)113-59-23-24-60-114(113)120(126)105-54-30-48-96(81-105)87-41-17-6-18-42-87;85-88(79(58-25-7-1-8-26-58)67-37-19-20-38-68(67)80(88)59-27-9-2-10-28-59)64-49-43-55(44-50-64)73-76-74(56-45-51-65(52-46-56)89(86)81(60-29-11-3-12-30-60)69-39-21-22-40-70(69)82(89)61-31-13-4-14-32-61)78-75(77-73)57-47-53-66(54-48-57)90(87)83(62-33-15-5-16-34-62)71-41-23-24-42-72(71)84(90)63-35-17-6-18-36-63/h1-81H;1-54H.

What are the key properties of 2-[4-[3,5-bis[4-[2-oxo-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphol-2-yl]phenyl]phenyl]phenyl]-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[4-[4,6-bis[4-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide?

2-[4-[3,5-bis[4-[2-oxo-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphol-2-yl]phenyl]phenyl]phenyl]-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[4-[4,6-bis[4-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide has a molecular weight of 2898.10 g/mol, XLogP of 50.41, 30 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3,5-bis[4-[2-oxo-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphol-2-yl]phenyl]phenyl]phenyl]-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[4-[4,6-bis[4-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide is sourced from PubChem (CID 161385436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).