5-bis(4-methylphenyl)phosphoryl-2-[5-bis[4-(trifluoromethyl)phenyl]phosphoryl-2-pyridinyl]pyridine

C38H28F6N2O2P2 — CID 88865179

IUPAC5-bis(4-methylphenyl)phosphoryl-2-[5-bis[4-(trifluoromethyl)phenyl]phosphoryl-2-pyridinyl]pyridine
SMILESCc1ccc(P(=O)(c2ccc(C)cc2)c2ccc(-c3ccc(P(=O)(c4ccc(C(F)(F)F)cc4)c4ccc(C(F)(F)F)cc4)cn3)nc2)cc1
InChIInChI=1S/C38H28F6N2O2P2/c1-25-3-11-29(12-4-25)49(47,30-13-5-26(2)6-14-30)33-19-21-35(45-23-33)36-22-20-34(24-46-36)50(48,31-15-7-27(8-16-31)37(39,40)41)32-17-9-28(10-18-32)38(42,43)44/h3-24H,1-2H3
InChIKeyNSUNCSPXYKAKJB-UHFFFAOYSA-N
MW720.59 g/mol
LogP8.08
Rot. Bonds7

About 5-bis(4-methylphenyl)phosphoryl-2-[5-bis[4-(trifluoromethyl)phenyl]phosphoryl-2-pyridinyl]pyridine

5-bis(4-methylphenyl)phosphoryl-2-[5-bis[4-(trifluoromethyl)phenyl]phosphoryl-2-pyridinyl]pyridine (PubChem CID 88865179) has the molecular formula C38H28F6N2O2P2 and a molecular weight of 720.59 g/mol. Its IUPAC name is 5-bis(4-methylphenyl)phosphoryl-2-[5-bis[4-(trifluoromethyl)phenyl]phosphoryl-2-pyridinyl]pyridine.

Molecular Properties

Compound Name5-bis(4-methylphenyl)phosphoryl-2-[5-bis[4-(trifluoromethyl)phenyl]phosphoryl-2-pyridinyl]pyridine
PubChem CID88865179
Molecular FormulaC38H28F6N2O2P2
Molecular Weight720.59 g/mol
Exact Mass720.15
IUPAC Name5-bis(4-methylphenyl)phosphoryl-2-[5-bis[4-(trifluoromethyl)phenyl]phosphoryl-2-pyridinyl]pyridine
SMILESCc1ccc(P(=O)(c2ccc(C)cc2)c2ccc(-c3ccc(P(=O)(c4ccc(C(F)(F)F)cc4)c4ccc(C(F)(F)F)cc4)cn3)nc2)cc1
InChIInChI=1S/C38H28F6N2O2P2/c1-25-3-11-29(12-4-25)49(47,30-13-5-26(2)6-14-30)33-19-21-35(45-23-33)36-22-20-34(24-46-36)50(48,31-15-7-27(8-16-31)37(39,40)41)32-17-9-28(10-18-32)38(42,43)44/h3-24H,1-2H3
InChIKeyNSUNCSPXYKAKJB-UHFFFAOYSA-N
XLogP8.08
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.59
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bis(4-methylphenyl)phosphoryl-2-[5-bis[4-(trifluoromethyl)phenyl]phosphoryl-2-pyridinyl]pyridine?
The IUPAC name of 5-bis(4-methylphenyl)phosphoryl-2-[5-bis[4-(trifluoromethyl)phenyl]phosphoryl-2-pyridinyl]pyridine (CID 88865179) is 5-bis(4-methylphenyl)phosphoryl-2-[5-bis[4-(trifluoromethyl)phenyl]phosphoryl-2-pyridinyl]pyridine.
What is the SMILES notation for 5-bis(4-methylphenyl)phosphoryl-2-[5-bis[4-(trifluoromethyl)phenyl]phosphoryl-2-pyridinyl]pyridine?
The canonical SMILES for 5-bis(4-methylphenyl)phosphoryl-2-[5-bis[4-(trifluoromethyl)phenyl]phosphoryl-2-pyridinyl]pyridine is Cc1ccc(P(=O)(c2ccc(C)cc2)c2ccc(-c3ccc(P(=O)(c4ccc(C(F)(F)F)cc4)c4ccc(C(F)(F)F)cc4)cn3)nc2)cc1.
What is the InChIKey of 5-bis(4-methylphenyl)phosphoryl-2-[5-bis[4-(trifluoromethyl)phenyl]phosphoryl-2-pyridinyl]pyridine?
The InChIKey is NSUNCSPXYKAKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28F6N2O2P2/c1-25-3-11-29(12-4-25)49(47,30-13-5-26(2)6-14-30)33-19-21-35(45-23-33)36-22-20-34(24-46-36)50(48,31-15-7-27(8-16-31)37(39,40)41)32-17-9-28(10-18-32)38(42,43)44/h3-24H,1-2H3.
What are the key properties of 5-bis(4-methylphenyl)phosphoryl-2-[5-bis[4-(trifluoromethyl)phenyl]phosphoryl-2-pyridinyl]pyridine?
5-bis(4-methylphenyl)phosphoryl-2-[5-bis[4-(trifluoromethyl)phenyl]phosphoryl-2-pyridinyl]pyridine has a molecular weight of 720.59 g/mol, XLogP of 8.08, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bis(4-methylphenyl)phosphoryl-2-[5-bis[4-(trifluoromethyl)phenyl]phosphoryl-2-pyridinyl]pyridine is sourced from PubChem (CID 88865179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).