4-[2-(4-diphenylphosphorylphenyl)-4-pyridinyl]-N,N-diphenylaniline

C41H31N2OP — CID 102144285

IUPAC4-[2-(4-diphenylphosphorylphenyl)-4-pyridinyl]-N,N-diphenylaniline
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccn2)cc1
InChIInChI=1S/C41H31N2OP/c44-45(38-17-9-3-10-18-38,39-19-11-4-12-20-39)40-27-23-33(24-28-40)41-31-34(29-30-42-41)32-21-25-37(26-22-32)43(35-13-5-1-6-14-35)36-15-7-2-8-16-36/h1-31H
InChIKeyFZYABJZDZJYNLD-UHFFFAOYSA-N
MW598.69 g/mol
LogP9.52
Rot. Bonds8

About 4-[2-(4-diphenylphosphorylphenyl)-4-pyridinyl]-N,N-diphenylaniline

4-[2-(4-diphenylphosphorylphenyl)-4-pyridinyl]-N,N-diphenylaniline (PubChem CID 102144285) has the molecular formula C41H31N2OP and a molecular weight of 598.69 g/mol. Its IUPAC name is 4-[2-(4-diphenylphosphorylphenyl)-4-pyridinyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[2-(4-diphenylphosphorylphenyl)-4-pyridinyl]-N,N-diphenylaniline
PubChem CID102144285
Molecular FormulaC41H31N2OP
Molecular Weight598.69 g/mol
Exact Mass598.22
IUPAC Name4-[2-(4-diphenylphosphorylphenyl)-4-pyridinyl]-N,N-diphenylaniline
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccn2)cc1
InChIInChI=1S/C41H31N2OP/c44-45(38-17-9-3-10-18-38,39-19-11-4-12-20-39)40-27-23-33(24-28-40)41-31-34(29-30-42-41)32-21-25-37(26-22-32)43(35-13-5-1-6-14-35)36-15-7-2-8-16-36/h1-31H
InChIKeyFZYABJZDZJYNLD-UHFFFAOYSA-N
XLogP9.52
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.69
LogP ≤ 59.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2,6-bis(diphenylphosphoryl)phenyl]-2-phenylpyridine
CID 137420028
4-N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-N,1-N-diphenyl-4-N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzene-1,4-diamine
CID 140908500
1,3-bis(4-diphenylphosphorylphenyl)benzene
CID 102485161
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 158321968
1-N,3-N,5-N-tris[4-(4-phenyl-2-pyridinyl)phenyl]benzene-1,3,5-tricarboxamide
CID 126639013
1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 162077719
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]aniline
CID 19708505
2-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 140901916
4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 140901998
4-phenyl-2-(3-phenylphenyl)pyridine
CID 58028222
3-diphenylphosphoryl-N,N-bis(4-fluorophenyl)aniline
CID 121406452
N,N-diphenyl-4-[4-(N-[4-[3-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]aniline
CID 59566446

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-diphenylphosphorylphenyl)-4-pyridinyl]-N,N-diphenylaniline?
The IUPAC name of 4-[2-(4-diphenylphosphorylphenyl)-4-pyridinyl]-N,N-diphenylaniline (CID 102144285) is 4-[2-(4-diphenylphosphorylphenyl)-4-pyridinyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[2-(4-diphenylphosphorylphenyl)-4-pyridinyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[2-(4-diphenylphosphorylphenyl)-4-pyridinyl]-N,N-diphenylaniline is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccn2)cc1.
What is the InChIKey of 4-[2-(4-diphenylphosphorylphenyl)-4-pyridinyl]-N,N-diphenylaniline?
The InChIKey is FZYABJZDZJYNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H31N2OP/c44-45(38-17-9-3-10-18-38,39-19-11-4-12-20-39)40-27-23-33(24-28-40)41-31-34(29-30-42-41)32-21-25-37(26-22-32)43(35-13-5-1-6-14-35)36-15-7-2-8-16-36/h1-31H.
What are the key properties of 4-[2-(4-diphenylphosphorylphenyl)-4-pyridinyl]-N,N-diphenylaniline?
4-[2-(4-diphenylphosphorylphenyl)-4-pyridinyl]-N,N-diphenylaniline has a molecular weight of 598.69 g/mol, XLogP of 9.52, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-diphenylphosphorylphenyl)-4-pyridinyl]-N,N-diphenylaniline is sourced from PubChem (CID 102144285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).