2-[3-[6-(3-diphenylphosphorylphenyl)-2-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine

C44H31N4OP — CID 146020018

IUPAC2-[3-[6-(3-diphenylphosphorylphenyl)-2-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESO=P(c1ccccc1)(c1ccccc1)c1cccc(-c2cccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)n2)c1
InChIInChI=1S/C44H31N4OP/c49-50(37-23-9-3-10-24-37,38-25-11-4-12-26-38)39-27-14-21-35(31-39)41-29-15-28-40(45-41)34-20-13-22-36(30-34)44-47-42(32-16-5-1-6-17-32)46-43(48-44)33-18-7-2-8-19-33/h1-31H
InChIKeyLBSBHHYTCADJBH-UHFFFAOYSA-N
MW662.73 g/mol
LogP9.24
Rot. Bonds8

About 2-[3-[6-(3-diphenylphosphorylphenyl)-2-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine

2-[3-[6-(3-diphenylphosphorylphenyl)-2-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 146020018) has the molecular formula C44H31N4OP and a molecular weight of 662.73 g/mol. Its IUPAC name is 2-[3-[6-(3-diphenylphosphorylphenyl)-2-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[6-(3-diphenylphosphorylphenyl)-2-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID146020018
Molecular FormulaC44H31N4OP
Molecular Weight662.73 g/mol
Exact Mass662.22
IUPAC Name2-[3-[6-(3-diphenylphosphorylphenyl)-2-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESO=P(c1ccccc1)(c1ccccc1)c1cccc(-c2cccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)n2)c1
InChIInChI=1S/C44H31N4OP/c49-50(37-23-9-3-10-24-37,38-25-11-4-12-26-38)39-27-14-21-35(31-39)41-29-15-28-40(45-41)34-20-13-22-36(30-34)44-47-42(32-16-5-1-6-17-32)46-43(48-44)33-18-7-2-8-19-33/h1-31H
InChIKeyLBSBHHYTCADJBH-UHFFFAOYSA-N
XLogP9.24
TPSA68.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.73
LogP ≤ 59.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-Triphenylpyrimidine
CID 1201436
2,2'-Dimethyl-6,6'-diphenyl-4,4'-bipyrimidine
CID 14949527
N-[2,6-di(propan-2-yl)phenyl]-1-[2-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]-6-methylpyrimidin-4-yl]-1-phenylmethanimine
CID 12091397
2-(4,6-Diphenylpyrimidin-2-yl)-4,6-diphenylpyrimidine
CID 12144432
4-([1,1'-Biphenyl]-4-yl)-2,6-diphenylpyrimidine
CID 59188591
4-Methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)-6-phenylpyrimidine
CID 85989323
9-[3-[4-(3-Acridin-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]acridine
CID 101520683
2,4,6-Tris(3'-(pyridin-2yl)biphenyl-3-yl)-1,3,5-triazine
CID 129849643
3-(6-(3-(4,6-Bis(4-biphenylyl)-1,3,5-triazin-2-yl)phenyl)pyridin-2-yl)phenyldiphenylphosphine oxide
CID 146020024
2-Phenyl-4-[3-(2-phenylquinazolin-4-yl)phenyl]quinazoline
CID 3114124
2-[8-(4,6-Dimethylpyrimidin-2-yl)-3-[3-methyl-5-(trifluoromethyl)phenyl]pyren-1-yl]-4,6-dimethylpyrimidine
CID 90293340
2-[4-[6-[4-(4,6-Diphenylpyridin-2-yl)phenyl]-9,9-difluorofluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 134271766

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-(3-diphenylphosphorylphenyl)-2-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-[6-(3-diphenylphosphorylphenyl)-2-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 146020018) is 2-[3-[6-(3-diphenylphosphorylphenyl)-2-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-[6-(3-diphenylphosphorylphenyl)-2-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-[6-(3-diphenylphosphorylphenyl)-2-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine is O=P(c1ccccc1)(c1ccccc1)c1cccc(-c2cccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)n2)c1.
What is the InChIKey of 2-[3-[6-(3-diphenylphosphorylphenyl)-2-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is LBSBHHYTCADJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31N4OP/c49-50(37-23-9-3-10-24-37,38-25-11-4-12-26-38)39-27-14-21-35(31-39)41-29-15-28-40(45-41)34-20-13-22-36(30-34)44-47-42(32-16-5-1-6-17-32)46-43(48-44)33-18-7-2-8-19-33/h1-31H.
What are the key properties of 2-[3-[6-(3-diphenylphosphorylphenyl)-2-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[3-[6-(3-diphenylphosphorylphenyl)-2-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 662.73 g/mol, XLogP of 9.24, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-(3-diphenylphosphorylphenyl)-2-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 146020018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).