2-benzyl-6-[bis(6-benzyl-2-pyridinyl)phosphoryl]pyridine

C36H30N3OP — CID 58106845

IUPAC2-benzyl-6-[bis(6-benzyl-2-pyridinyl)phosphoryl]pyridine
SMILESO=P(c1cccc(Cc2ccccc2)n1)(c1cccc(Cc2ccccc2)n1)c1cccc(Cc2ccccc2)n1
InChIInChI=1S/C36H30N3OP/c40-41(34-22-10-19-31(37-34)25-28-13-4-1-5-14-28,35-23-11-20-32(38-35)26-29-15-6-2-7-16-29)36-24-12-21-33(39-36)27-30-17-8-3-9-18-30/h1-24H,25-27H2
InChIKeyPLZGASPKLZBJLB-UHFFFAOYSA-N
MW551.63 g/mol
LogP6.28
Rot. Bonds9

About 2-benzyl-6-[bis(6-benzyl-2-pyridinyl)phosphoryl]pyridine

2-benzyl-6-[bis(6-benzyl-2-pyridinyl)phosphoryl]pyridine (PubChem CID 58106845) has the molecular formula C36H30N3OP and a molecular weight of 551.63 g/mol. Its IUPAC name is 2-benzyl-6-[bis(6-benzyl-2-pyridinyl)phosphoryl]pyridine.

Molecular Properties

Compound Name2-benzyl-6-[bis(6-benzyl-2-pyridinyl)phosphoryl]pyridine
PubChem CID58106845
Molecular FormulaC36H30N3OP
Molecular Weight551.63 g/mol
Exact Mass551.21
IUPAC Name2-benzyl-6-[bis(6-benzyl-2-pyridinyl)phosphoryl]pyridine
SMILESO=P(c1cccc(Cc2ccccc2)n1)(c1cccc(Cc2ccccc2)n1)c1cccc(Cc2ccccc2)n1
InChIInChI=1S/C36H30N3OP/c40-41(34-22-10-19-31(37-34)25-28-13-4-1-5-14-28,35-23-11-20-32(38-35)26-29-15-6-2-7-16-29)36-24-12-21-33(39-36)27-30-17-8-3-9-18-30/h1-24H,25-27H2
InChIKeyPLZGASPKLZBJLB-UHFFFAOYSA-N
XLogP6.28
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.63
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-Triphenylpyridine
CID 136370
2,6-Diphenethylpyridine
CID 12429371
1,2,4,6-Tetraphenylpyridin-1-ium
CID 3124420
Tris(2-phenylpyridine)iridium
CID 45358635
1-Methyl-4-[4-(1-methyl-2,6-diphenylpyridin-1-ium-4-yl)butyl]-2,6-diphenylpyridin-1-ium
CID 2306810
N-diphenylphosphoryl-1-(2-pyridin-3-yl-3-pyridinyl)methanamine
CID 71719150
8-Diphenylphosphoryl-4-(4-methylphenyl)-2-phenylquinoline
CID 145972152
8-Diphenylphosphoryl-2,4-bis(4-fluorophenyl)quinoline
CID 145973785
8-Diphenylphosphoryl-2,4-diphenylquinoline
CID 145977441
8-Diphenylphosphoryl-2-(4-fluorophenyl)-4-phenylquinoline
CID 145978485
2-(3,4-Difluorophenyl)-8-diphenylphosphoryl-4-(4-fluorophenyl)quinoline
CID 155518845
8-Diphenylphosphoryl-4-(4-fluorophenyl)-2-phenylquinoline
CID 155536046

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-[bis(6-benzyl-2-pyridinyl)phosphoryl]pyridine?
The IUPAC name of 2-benzyl-6-[bis(6-benzyl-2-pyridinyl)phosphoryl]pyridine (CID 58106845) is 2-benzyl-6-[bis(6-benzyl-2-pyridinyl)phosphoryl]pyridine.
What is the SMILES notation for 2-benzyl-6-[bis(6-benzyl-2-pyridinyl)phosphoryl]pyridine?
The canonical SMILES for 2-benzyl-6-[bis(6-benzyl-2-pyridinyl)phosphoryl]pyridine is O=P(c1cccc(Cc2ccccc2)n1)(c1cccc(Cc2ccccc2)n1)c1cccc(Cc2ccccc2)n1.
What is the InChIKey of 2-benzyl-6-[bis(6-benzyl-2-pyridinyl)phosphoryl]pyridine?
The InChIKey is PLZGASPKLZBJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30N3OP/c40-41(34-22-10-19-31(37-34)25-28-13-4-1-5-14-28,35-23-11-20-32(38-35)26-29-15-6-2-7-16-29)36-24-12-21-33(39-36)27-30-17-8-3-9-18-30/h1-24H,25-27H2.
What are the key properties of 2-benzyl-6-[bis(6-benzyl-2-pyridinyl)phosphoryl]pyridine?
2-benzyl-6-[bis(6-benzyl-2-pyridinyl)phosphoryl]pyridine has a molecular weight of 551.63 g/mol, XLogP of 6.28, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-[bis(6-benzyl-2-pyridinyl)phosphoryl]pyridine is sourced from PubChem (CID 58106845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).