2,6-bis[4-bis(3,5-difluorophenyl)phosphorylphenyl]-4-(4-phenylphenyl)pyridine;2,6-bis(4-bromophenyl)-4-(4-phenylphenyl)pyridine;bis(3,5-difluorophenyl)-oxophosphanium

C94H56Br2F12N2O3P3+ — CID 157211607

IUPAC2,6-bis[4-bis(3,5-difluorophenyl)phosphorylphenyl]-4-(4-phenylphenyl)pyridine;2,6-bis(4-bromophenyl)-4-(4-phenylphenyl)pyridine;bis(3,5-difluorophenyl)-oxophosphanium
SMILESBrc1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3ccc(Br)cc3)n2)cc1.O=P(c1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3ccc(P(=O)(c4cc(F)cc(F)c4)c4cc(F)cc(F)c4)cc3)n2)cc1)(c1cc(F)cc(F)c1)c1cc(F)cc(F)c1.O=[P+](c1cc(F)cc(F)c1)c1cc(F)cc(F)c1
InChIInChI=1S/C53H31F8NO2P2.C29H19Br2N.C12H6F4OP/c54-38-20-39(55)25-48(24-38)65(63,49-26-40(56)21-41(57)27-49)46-14-10-35(11-15-46)52-18-37(34-8-6-33(7-9-34)32-4-2-1-3-5-32)19-53(62-52)36-12-16-47(17-13-36)66(64,50-28-42(58)22-43(59)29-50)51-30-44(60)23-45(61)31-51;30-26-14-10-23(11-15-26)28-18-25(19-29(32-28)24-12-16-27(31)17-13-24)22-8-6-21(7-9-22)20-4-2-1-3-5-20;13-7-1-8(14)4-11(3-7)18(17)12-5-9(15)2-10(16)6-12/h1-31H;1-19H;1-6H/q;;+1
InChIKeyFIZGROUADXZLET-UHFFFAOYSA-N
MW1742.20 g/mol
LogP24.44
Rot. Bonds16

About 2,6-bis[4-bis(3,5-difluorophenyl)phosphorylphenyl]-4-(4-phenylphenyl)pyridine;2,6-bis(4-bromophenyl)-4-(4-phenylphenyl)pyridine;bis(3,5-difluorophenyl)-oxophosphanium

2,6-bis[4-bis(3,5-difluorophenyl)phosphorylphenyl]-4-(4-phenylphenyl)pyridine;2,6-bis(4-bromophenyl)-4-(4-phenylphenyl)pyridine;bis(3,5-difluorophenyl)-oxophosphanium (PubChem CID 157211607) has the molecular formula C94H56Br2F12N2O3P3+ and a molecular weight of 1742.20 g/mol. Its IUPAC name is 2,6-bis[4-bis(3,5-difluorophenyl)phosphorylphenyl]-4-(4-phenylphenyl)pyridine;2,6-bis(4-bromophenyl)-4-(4-phenylphenyl)pyridine;bis(3,5-difluorophenyl)-oxophosphanium.

Molecular Properties

Compound Name2,6-bis[4-bis(3,5-difluorophenyl)phosphorylphenyl]-4-(4-phenylphenyl)pyridine;2,6-bis(4-bromophenyl)-4-(4-phenylphenyl)pyridine;bis(3,5-difluorophenyl)-oxophosphanium
PubChem CID157211607
Molecular FormulaC94H56Br2F12N2O3P3+
Molecular Weight1742.20 g/mol
Exact Mass1739.17
IUPAC Name2,6-bis[4-bis(3,5-difluorophenyl)phosphorylphenyl]-4-(4-phenylphenyl)pyridine;2,6-bis(4-bromophenyl)-4-(4-phenylphenyl)pyridine;bis(3,5-difluorophenyl)-oxophosphanium
SMILESBrc1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3ccc(Br)cc3)n2)cc1.O=P(c1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3ccc(P(=O)(c4cc(F)cc(F)c4)c4cc(F)cc(F)c4)cc3)n2)cc1)(c1cc(F)cc(F)c1)c1cc(F)cc(F)c1.O=[P+](c1cc(F)cc(F)c1)c1cc(F)cc(F)c1
InChIInChI=1S/C53H31F8NO2P2.C29H19Br2N.C12H6F4OP/c54-38-20-39(55)25-48(24-38)65(63,49-26-40(56)21-41(57)27-49)46-14-10-35(11-15-46)52-18-37(34-8-6-33(7-9-34)32-4-2-1-3-5-32)19-53(62-52)36-12-16-47(17-13-36)66(64,50-28-42(58)22-43(59)29-50)51-30-44(60)23-45(61)31-51;30-26-14-10-23(11-15-26)28-18-25(19-29(32-28)24-12-16-27(31)17-13-24)22-8-6-21(7-9-22)20-4-2-1-3-5-20;13-7-1-8(14)4-11(3-7)18(17)12-5-9(15)2-10(16)6-12/h1-31H;1-19H;1-6H/q;;+1
InChIKeyFIZGROUADXZLET-UHFFFAOYSA-N
XLogP24.44
TPSA76.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001742.20
LogP ≤ 524.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,6-bis[4-bis(3,5-difluorophenyl)phosphorylphenyl]-4-(4-phenylphenyl)pyridine;2,6-bis(4-bromophenyl)-4-(4-phenylphenyl)pyridine;bis(3,5-difluorophenyl)-oxophosphanium with MolForge

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Related Compounds

2-Phenyl-6-(4-phenylphenyl)-4-[4-[2-phenyl-6-(4-phenylphenyl)-3-(trifluoromethyl)pyridin-4-yl]phenyl]-3-(trifluoromethyl)pyridine
CID 57660351
2,6-Bis[3-bis(4-fluorophenyl)phosphorylphenyl]pyridine
CID 88865192
2,6-Bis[4-bis(3,5-difluorophenyl)phosphorylphenyl]-4-(4-phenylphenyl)pyridine
CID 137366973
2,6-Bis(4-bromophenyl)-4-[4-(trifluoromethyl)phenyl]pyridine
CID 162351540
4-(4-Bromophenyl)-2,6-bis[4-(trifluoromethyl)phenyl]pyridine
CID 162353944
2-[4-bis(3,5-difluorophenyl)phosphorylphenyl]-6-[4-[[(3E,5E)-2,6-difluorohepta-1,3,5-trien-4-yl]-(3,5-difluorophenyl)phosphoryl]phenyl]-4-(4-phenylphenyl)pyridine
CID 166645311
2,4-Bis(4-bromophenyl)-6-[(4-bromophenyl)methyl]pyridine
CID 139186376
2-(3-Bromo-2,4-difluorophenyl)-6-[[6-(2,3,4-trifluorophenyl)-2-pyridinyl]-(2,4,6-trimethylphenyl)methyl]pyridine
CID 58620921
2-bromo-6-[(1R,2R)-2-(6-bromo-2-pyridinyl)-1,2-bis(4-fluorophenyl)ethyl]pyridine
CID 101847367
2-(4-Bromo-2-fluorophenyl)-6-[2-[6-(4-bromo-2-fluorophenyl)-2-pyridinyl]propan-2-yl]pyridine
CID 141676633
2,6-Bis(4-methylphenyl)-3-[(4-bromophenyl)methyl]-4-phenylpyridine
CID 13545438
2-(4-Bromophenyl)-6-[6-(4-bromophenyl)-4-phenyl-2-pyridinyl]-4-phenylpyridine
CID 57548783

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[4-bis(3,5-difluorophenyl)phosphorylphenyl]-4-(4-phenylphenyl)pyridine;2,6-bis(4-bromophenyl)-4-(4-phenylphenyl)pyridine;bis(3,5-difluorophenyl)-oxophosphanium?
The IUPAC name of 2,6-bis[4-bis(3,5-difluorophenyl)phosphorylphenyl]-4-(4-phenylphenyl)pyridine;2,6-bis(4-bromophenyl)-4-(4-phenylphenyl)pyridine;bis(3,5-difluorophenyl)-oxophosphanium (CID 157211607) is 2,6-bis[4-bis(3,5-difluorophenyl)phosphorylphenyl]-4-(4-phenylphenyl)pyridine;2,6-bis(4-bromophenyl)-4-(4-phenylphenyl)pyridine;bis(3,5-difluorophenyl)-oxophosphanium.
What is the SMILES notation for 2,6-bis[4-bis(3,5-difluorophenyl)phosphorylphenyl]-4-(4-phenylphenyl)pyridine;2,6-bis(4-bromophenyl)-4-(4-phenylphenyl)pyridine;bis(3,5-difluorophenyl)-oxophosphanium?
The canonical SMILES for 2,6-bis[4-bis(3,5-difluorophenyl)phosphorylphenyl]-4-(4-phenylphenyl)pyridine;2,6-bis(4-bromophenyl)-4-(4-phenylphenyl)pyridine;bis(3,5-difluorophenyl)-oxophosphanium is Brc1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3ccc(Br)cc3)n2)cc1.O=P(c1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3ccc(P(=O)(c4cc(F)cc(F)c4)c4cc(F)cc(F)c4)cc3)n2)cc1)(c1cc(F)cc(F)c1)c1cc(F)cc(F)c1.O=[P+](c1cc(F)cc(F)c1)c1cc(F)cc(F)c1.
What is the InChIKey of 2,6-bis[4-bis(3,5-difluorophenyl)phosphorylphenyl]-4-(4-phenylphenyl)pyridine;2,6-bis(4-bromophenyl)-4-(4-phenylphenyl)pyridine;bis(3,5-difluorophenyl)-oxophosphanium?
The InChIKey is FIZGROUADXZLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H31F8NO2P2.C29H19Br2N.C12H6F4OP/c54-38-20-39(55)25-48(24-38)65(63,49-26-40(56)21-41(57)27-49)46-14-10-35(11-15-46)52-18-37(34-8-6-33(7-9-34)32-4-2-1-3-5-32)19-53(62-52)36-12-16-47(17-13-36)66(64,50-28-42(58)22-43(59)29-50)51-30-44(60)23-45(61)31-51;30-26-14-10-23(11-15-26)28-18-25(19-29(32-28)24-12-16-27(31)17-13-24)22-8-6-21(7-9-22)20-4-2-1-3-5-20;13-7-1-8(14)4-11(3-7)18(17)12-5-9(15)2-10(16)6-12/h1-31H;1-19H;1-6H/q;;+1.
What are the key properties of 2,6-bis[4-bis(3,5-difluorophenyl)phosphorylphenyl]-4-(4-phenylphenyl)pyridine;2,6-bis(4-bromophenyl)-4-(4-phenylphenyl)pyridine;bis(3,5-difluorophenyl)-oxophosphanium?
2,6-bis[4-bis(3,5-difluorophenyl)phosphorylphenyl]-4-(4-phenylphenyl)pyridine;2,6-bis(4-bromophenyl)-4-(4-phenylphenyl)pyridine;bis(3,5-difluorophenyl)-oxophosphanium has a molecular weight of 1742.20 g/mol, XLogP of 24.44, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[4-bis(3,5-difluorophenyl)phosphorylphenyl]-4-(4-phenylphenyl)pyridine;2,6-bis(4-bromophenyl)-4-(4-phenylphenyl)pyridine;bis(3,5-difluorophenyl)-oxophosphanium is sourced from PubChem (CID 157211607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).