5-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-10-phenylphenophosphazinine 10-oxide;5-[2,5-dimethyl-4-(10-oxo-10-phenylphenophosphazinin-5-yl)phenyl]benzene-1,3-dicarbonitrile;5-[5-(3,5-diphenylphenyl)-2-pyridinyl]-10-phenylphenophosphazinine 10-oxide;5-[6-(3,5-diphenylphenyl)-3-pyridinyl]-10-phenylphenophosphazinine 10-oxide;5-[5-(3,5-diphenylphenyl)pyrimidin-2-yl]-10-phenylphenophosphazinine 10-oxide;5-[4-(10-oxo-10-phenylphenophosphazinin-5-yl)phenyl]benzene-1,3-dicarbonitrile

C220H150F6N14O6P6 — CID 158432406

About 5-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-10-phenylphenophosphazinine 10-oxide;5-[2,5-dimethyl-4-(10-oxo-10-phenylphenophosphazinin-5-yl)phenyl]benzene-1,3-dicarbonitrile;5-[5-(3,5-diphenylphenyl)-2-pyridinyl]-10-phenylphenophosphazinine 10-oxide;5-[6-(3,5-diphenylphenyl)-3-pyridinyl]-10-phenylphenophosphazinine 10-oxide;5-[5-(3,5-diphenylphenyl)pyrimidin-2-yl]-10-phenylphenophosphazinine 10-oxide;5-[4-(10-oxo-10-phenylphenophosphazinin-5-yl)phenyl]benzene-1,3-dicarbonitrile

5-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-10-phenylphenophosphazinine 10-oxide;5-[2,5-dimethyl-4-(10-oxo-10-phenylphenophosphazinin-5-yl)phenyl]benzene-1,3-dicarbonitrile;5-[5-(3,5-diphenylphenyl)-2-pyridinyl]-10-phenylphenophosphazinine 10-oxide;5-[6-(3,5-diphenylphenyl)-3-pyridinyl]-10-phenylphenophosphazinine 10-oxide;5-[5-(3,5-diphenylphenyl)pyrimidin-2-yl]-10-phenylphenophosphazinine 10-oxide;5-[4-(10-oxo-10-phenylphenophosphazinin-5-yl)phenyl]benzene-1,3-dicarbonitrile (PubChem CID 158432406) has the molecular formula C220H150F6N14O6P6 and a molecular weight of 3385.54 g/mol. Its IUPAC name is 5-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-10-phenylphenophosphazinine 10-oxide;5-[2,5-dimethyl-4-(10-oxo-10-phenylphenophosphazinin-5-yl)phenyl]benzene-1,3-dicarbonitrile;5-[5-(3,5-diphenylphenyl)-2-pyridinyl]-10-phenylphenophosphazinine 10-oxide;5-[6-(3,5-diphenylphenyl)-3-pyridinyl]-10-phenylphenophosphazinine 10-oxide;5-[5-(3,5-diphenylphenyl)pyrimidin-2-yl]-10-phenylphenophosphazinine 10-oxide;5-[4-(10-oxo-10-phenylphenophosphazinin-5-yl)phenyl]benzene-1,3-dicarbonitrile.

Molecular Properties

• Compound Name: 5-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-10-phenylphenophosphazinine 10-oxide;5-[2,5-dimethyl-4-(10-oxo-10-phenylphenophosphazinin-5-yl)phenyl]benzene-1,3-dicarbonitrile;5-[5-(3,5-diphenylphenyl)-2-pyridinyl]-10-phenylphenophosphazinine 10-oxide;5-[6-(3,5-diphenylphenyl)-3-pyridinyl]-10-phenylphenophosphazinine 10-oxide;5-[5-(3,5-diphenylphenyl)pyrimidin-2-yl]-10-phenylphenophosphazinine 10-oxide;5-[4-(10-oxo-10-phenylphenophosphazinin-5-yl)phenyl]benzene-1,3-dicarbonitrile
• PubChem CID: 158432406
• Molecular Formula: C220H150F6N14O6P6
• Molecular Weight: 3385.54 g/mol
• Exact Mass: 3383.02
• IUPAC Name: 5-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-10-phenylphenophosphazinine 10-oxide;5-[2,5-dimethyl-4-(10-oxo-10-phenylphenophosphazinin-5-yl)phenyl]benzene-1,3-dicarbonitrile;5-[5-(3,5-diphenylphenyl)-2-pyridinyl]-10-phenylphenophosphazinine 10-oxide;5-[6-(3,5-diphenylphenyl)-3-pyridinyl]-10-phenylphenophosphazinine 10-oxide;5-[5-(3,5-diphenylphenyl)pyrimidin-2-yl]-10-phenylphenophosphazinine 10-oxide;5-[4-(10-oxo-10-phenylphenophosphazinin-5-yl)phenyl]benzene-1,3-dicarbonitrile
• SMILES: Cc1cc(N2c3ccccc3P(=O)(c3ccccc3)c3ccccc32)c(C)cc1-c1cc(C#N)cc(C#N)c1.N#Cc1cc(C#N)cc(-c2ccc(N3c4ccccc4P(=O)(c4ccccc4)c4ccccc43)cc2)c1.O=P1(c2ccccc2)c2ccccc2N(c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cn2)c2ccccc21.O=P1(c2ccccc2)c2ccccc2N(c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)nc2)c2ccccc21.O=P1(c2ccccc2)c2ccccc2N(c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)c2ccccc21.O=P1(c2ccccc2)c2ccccc2N(c2ncc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cn2)c2ccccc21
• InChI: InChI=1S/2C41H29N2OP.C40H28N3OP.C34H24N3OP.C32H20F6NOP.C32H20N3OP/c44-45(36-18-8-3-9-19-36)40-22-12-10-20-38(40)43(39-21-11-13-23-41(39)45)35-24-25-37(42-29-35)34-27-32(30-14-4-1-5-15-30)26-33(28-34)31-16-6-2-7-17-31;44-45(36-18-8-3-9-19-36)39-22-12-10-20-37(39)43(38-21-11-13-23-40(38)45)41-25-24-32(29-42-41)35-27-33(30-14-4-1-5-15-30)26-34(28-35)31-16-6-2-7-17-31;44-45(35-18-8-3-9-19-35)38-22-12-10-20-36(38)43(37-21-11-13-23-39(37)45)40-41-27-34(28-42-40)33-25-31(29-14-4-1-5-15-29)24-32(26-33)30-16-6-2-7-17-30;1-23-17-32(24(2)16-29(23)27-19-25(21-35)18-26(20-27)22-36)37-30-12-6-8-14-33(30)39(38,28-10-4-3-5-11-28)34-15-9-7-13-31(34)37;33-31(34,35)23-18-22(19-24(20-23)32(36,37)38)21-14-16-25(17-15-21)39-27-10-4-6-12-29(27)41(40,26-8-2-1-3-9-26)30-13-7-5-11-28(30)39;33-21-23-18-24(22-34)20-26(19-23)25-14-16-27(17-15-25)35-29-10-4-6-12-31(29)37(36,28-8-2-1-3-9-28)32-13-7-5-11-30(32)35/h2*1-29H;1-28H;3-20H,1-2H3;1-20H;1-20H
• InChIKey: HBUWDVQLXRBCRX-UHFFFAOYSA-N
• XLogP: 50.38
• TPSA: 268.58 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 24
• Heavy Atoms: 252
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3385.54
LogP ≤ 5	50.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-10-phenylphenophosphazinine 10-oxide;5-[2,5-dimethyl-4-(10-oxo-10-phenylphenophosphazinin-5-yl)phenyl]benzene-1,3-dicarbonitrile;5-[5-(3,5-diphenylphenyl)-2-pyridinyl]-10-phenylphenophosphazinine 10-oxide;5-[6-(3,5-diphenylphenyl)-3-pyridinyl]-10-phenylphenophosphazinine 10-oxide;5-[5-(3,5-diphenylphenyl)pyrimidin-2-yl]-10-phenylphenophosphazinine 10-oxide;5-[4-(10-oxo-10-phenylphenophosphazinin-5-yl)phenyl]benzene-1,3-dicarbonitrile?

The IUPAC name of 5-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-10-phenylphenophosphazinine 10-oxide;5-[2,5-dimethyl-4-(10-oxo-10-phenylphenophosphazinin-5-yl)phenyl]benzene-1,3-dicarbonitrile;5-[5-(3,5-diphenylphenyl)-2-pyridinyl]-10-phenylphenophosphazinine 10-oxide;5-[6-(3,5-diphenylphenyl)-3-pyridinyl]-10-phenylphenophosphazinine 10-oxide;5-[5-(3,5-diphenylphenyl)pyrimidin-2-yl]-10-phenylphenophosphazinine 10-oxide;5-[4-(10-oxo-10-phenylphenophosphazinin-5-yl)phenyl]benzene-1,3-dicarbonitrile (CID 158432406) is 5-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-10-phenylphenophosphazinine 10-oxide;5-[2,5-dimethyl-4-(10-oxo-10-phenylphenophosphazinin-5-yl)phenyl]benzene-1,3-dicarbonitrile;5-[5-(3,5-diphenylphenyl)-2-pyridinyl]-10-phenylphenophosphazinine 10-oxide;5-[6-(3,5-diphenylphenyl)-3-pyridinyl]-10-phenylphenophosphazinine 10-oxide;5-[5-(3,5-diphenylphenyl)pyrimidin-2-yl]-10-phenylphenophosphazinine 10-oxide;5-[4-(10-oxo-10-phenylphenophosphazinin-5-yl)phenyl]benzene-1,3-dicarbonitrile.

What is the SMILES notation for 5-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-10-phenylphenophosphazinine 10-oxide;5-[2,5-dimethyl-4-(10-oxo-10-phenylphenophosphazinin-5-yl)phenyl]benzene-1,3-dicarbonitrile;5-[5-(3,5-diphenylphenyl)-2-pyridinyl]-10-phenylphenophosphazinine 10-oxide;5-[6-(3,5-diphenylphenyl)-3-pyridinyl]-10-phenylphenophosphazinine 10-oxide;5-[5-(3,5-diphenylphenyl)pyrimidin-2-yl]-10-phenylphenophosphazinine 10-oxide;5-[4-(10-oxo-10-phenylphenophosphazinin-5-yl)phenyl]benzene-1,3-dicarbonitrile?

The canonical SMILES for 5-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-10-phenylphenophosphazinine 10-oxide;5-[2,5-dimethyl-4-(10-oxo-10-phenylphenophosphazinin-5-yl)phenyl]benzene-1,3-dicarbonitrile;5-[5-(3,5-diphenylphenyl)-2-pyridinyl]-10-phenylphenophosphazinine 10-oxide;5-[6-(3,5-diphenylphenyl)-3-pyridinyl]-10-phenylphenophosphazinine 10-oxide;5-[5-(3,5-diphenylphenyl)pyrimidin-2-yl]-10-phenylphenophosphazinine 10-oxide;5-[4-(10-oxo-10-phenylphenophosphazinin-5-yl)phenyl]benzene-1,3-dicarbonitrile is Cc1cc(N2c3ccccc3P(=O)(c3ccccc3)c3ccccc32)c(C)cc1-c1cc(C#N)cc(C#N)c1.N#Cc1cc(C#N)cc(-c2ccc(N3c4ccccc4P(=O)(c4ccccc4)c4ccccc43)cc2)c1.O=P1(c2ccccc2)c2ccccc2N(c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cn2)c2ccccc21.O=P1(c2ccccc2)c2ccccc2N(c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)nc2)c2ccccc21.O=P1(c2ccccc2)c2ccccc2N(c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)c2ccccc21.O=P1(c2ccccc2)c2ccccc2N(c2ncc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cn2)c2ccccc21.

What is the InChIKey of 5-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-10-phenylphenophosphazinine 10-oxide;5-[2,5-dimethyl-4-(10-oxo-10-phenylphenophosphazinin-5-yl)phenyl]benzene-1,3-dicarbonitrile;5-[5-(3,5-diphenylphenyl)-2-pyridinyl]-10-phenylphenophosphazinine 10-oxide;5-[6-(3,5-diphenylphenyl)-3-pyridinyl]-10-phenylphenophosphazinine 10-oxide;5-[5-(3,5-diphenylphenyl)pyrimidin-2-yl]-10-phenylphenophosphazinine 10-oxide;5-[4-(10-oxo-10-phenylphenophosphazinin-5-yl)phenyl]benzene-1,3-dicarbonitrile?

The InChIKey is HBUWDVQLXRBCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C41H29N2OP.C40H28N3OP.C34H24N3OP.C32H20F6NOP.C32H20N3OP/c44-45(36-18-8-3-9-19-36)40-22-12-10-20-38(40)43(39-21-11-13-23-41(39)45)35-24-25-37(42-29-35)34-27-32(30-14-4-1-5-15-30)26-33(28-34)31-16-6-2-7-17-31;44-45(36-18-8-3-9-19-36)39-22-12-10-20-37(39)43(38-21-11-13-23-40(38)45)41-25-24-32(29-42-41)35-27-33(30-14-4-1-5-15-30)26-34(28-35)31-16-6-2-7-17-31;44-45(35-18-8-3-9-19-35)38-22-12-10-20-36(38)43(37-21-11-13-23-39(37)45)40-41-27-34(28-42-40)33-25-31(29-14-4-1-5-15-29)24-32(26-33)30-16-6-2-7-17-30;1-23-17-32(24(2)16-29(23)27-19-25(21-35)18-26(20-27)22-36)37-30-12-6-8-14-33(30)39(38,28-10-4-3-5-11-28)34-15-9-7-13-31(34)37;33-31(34,35)23-18-22(19-24(20-23)32(36,37)38)21-14-16-25(17-15-21)39-27-10-4-6-12-29(27)41(40,26-8-2-1-3-9-26)30-13-7-5-11-28(30)39;33-21-23-18-24(22-34)20-26(19-23)25-14-16-27(17-15-25)35-29-10-4-6-12-31(29)37(36,28-8-2-1-3-9-28)32-13-7-5-11-30(32)35/h2*1-29H;1-28H;3-20H,1-2H3;1-20H;1-20H.

What are the key properties of 5-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-10-phenylphenophosphazinine 10-oxide;5-[2,5-dimethyl-4-(10-oxo-10-phenylphenophosphazinin-5-yl)phenyl]benzene-1,3-dicarbonitrile;5-[5-(3,5-diphenylphenyl)-2-pyridinyl]-10-phenylphenophosphazinine 10-oxide;5-[6-(3,5-diphenylphenyl)-3-pyridinyl]-10-phenylphenophosphazinine 10-oxide;5-[5-(3,5-diphenylphenyl)pyrimidin-2-yl]-10-phenylphenophosphazinine 10-oxide;5-[4-(10-oxo-10-phenylphenophosphazinin-5-yl)phenyl]benzene-1,3-dicarbonitrile?

5-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-10-phenylphenophosphazinine 10-oxide;5-[2,5-dimethyl-4-(10-oxo-10-phenylphenophosphazinin-5-yl)phenyl]benzene-1,3-dicarbonitrile;5-[5-(3,5-diphenylphenyl)-2-pyridinyl]-10-phenylphenophosphazinine 10-oxide;5-[6-(3,5-diphenylphenyl)-3-pyridinyl]-10-phenylphenophosphazinine 10-oxide;5-[5-(3,5-diphenylphenyl)pyrimidin-2-yl]-10-phenylphenophosphazinine 10-oxide;5-[4-(10-oxo-10-phenylphenophosphazinin-5-yl)phenyl]benzene-1,3-dicarbonitrile has a molecular weight of 3385.54 g/mol, XLogP of 50.38, 24 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-10-phenylphenophosphazinine 10-oxide;5-[2,5-dimethyl-4-(10-oxo-10-phenylphenophosphazinin-5-yl)phenyl]benzene-1,3-dicarbonitrile;5-[5-(3,5-diphenylphenyl)-2-pyridinyl]-10-phenylphenophosphazinine 10-oxide;5-[6-(3,5-diphenylphenyl)-3-pyridinyl]-10-phenylphenophosphazinine 10-oxide;5-[5-(3,5-diphenylphenyl)pyrimidin-2-yl]-10-phenylphenophosphazinine 10-oxide;5-[4-(10-oxo-10-phenylphenophosphazinin-5-yl)phenyl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 158432406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).