4-N-(6-diphenylphosphoryl-2-pyridinyl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine

C41H32N3OP — CID 58518338

IUPAC4-N-(6-diphenylphosphoryl-2-pyridinyl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
SMILESO=P(c1ccccc1)(c1ccccc1)c1cccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)n1
InChIInChI=1S/C41H32N3OP/c45-46(38-23-12-4-13-24-38,39-25-14-5-15-26-39)41-28-16-27-40(42-41)44(35-21-10-3-11-22-35)37-31-29-36(30-32-37)43(33-17-6-1-7-18-33)34-19-8-2-9-20-34/h1-32H
InChIKeyCSVHBAOVJPWXML-UHFFFAOYSA-N
MW613.70 g/mol
LogP9.66
Rot. Bonds9

About 4-N-(6-diphenylphosphoryl-2-pyridinyl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine

4-N-(6-diphenylphosphoryl-2-pyridinyl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine (PubChem CID 58518338) has the molecular formula C41H32N3OP and a molecular weight of 613.70 g/mol. Its IUPAC name is 4-N-(6-diphenylphosphoryl-2-pyridinyl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(6-diphenylphosphoryl-2-pyridinyl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
PubChem CID58518338
Molecular FormulaC41H32N3OP
Molecular Weight613.70 g/mol
Exact Mass613.23
IUPAC Name4-N-(6-diphenylphosphoryl-2-pyridinyl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
SMILESO=P(c1ccccc1)(c1ccccc1)c1cccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)n1
InChIInChI=1S/C41H32N3OP/c45-46(38-23-12-4-13-24-38,39-25-14-5-15-26-39)41-28-16-27-40(42-41)44(35-21-10-3-11-22-35)37-31-29-36(30-32-37)43(33-17-6-1-7-18-33)34-19-8-2-9-20-34/h1-32H
InChIKeyCSVHBAOVJPWXML-UHFFFAOYSA-N
XLogP9.66
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.70
LogP ≤ 59.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-N-(6-diphenylphosphoryl-2-pyridinyl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine with MolForge

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Related Compounds

N-(4-carbazol-9-ylphenyl)-6-[[6-(N-(4-carbazol-9-ylphenyl)anilino)-2-pyridinyl]-phenylphosphoryl]-N-phenylpyridin-2-amine
CID 58518314
2,6-bis(diphenylphosphoryl)pyridine;hydrate
CID 139170088
2-diphenylphosphoryl-6-(6-diphenylphosphoryl-2-pyridinyl)pyridine
CID 58251118
6-[carbazol-9-yl-[6-(N-phenylanilino)-2-pyridinyl]phosphoryl]-N,N-diphenylpyridin-2-amine
CID 58518421
6-methyl-N,N-diphenylpyridin-2-amine
CID 101223687
3-diphenylphosphoryl-N,N-bis(4-methoxyphenyl)aniline
CID 121406472
3-diphenylphosphoryl-N,N-bis(4-fluorophenyl)aniline
CID 121406452
6-[6-di(carbazol-9-yl)phosphoryl-2-pyridinyl]-N,N-diphenylpyridin-2-amine
CID 58518337
2-diphenylphosphorylpyridine
CID 3496437
4-[2-(4-diphenylphosphorylphenyl)-4-pyridinyl]-N,N-diphenylaniline
CID 102144285
8-bromo-2-diphenylphosphorylquinoline
CID 155932211
N,N-diphenyl-6-[9-[6-(N-phenylanilino)-2-pyridinyl]benzo[b]triphenylen-14-yl]pyridin-2-amine
CID 58855335

Frequently Asked Questions

What is the IUPAC name of 4-N-(6-diphenylphosphoryl-2-pyridinyl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
The IUPAC name of 4-N-(6-diphenylphosphoryl-2-pyridinyl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine (CID 58518338) is 4-N-(6-diphenylphosphoryl-2-pyridinyl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(6-diphenylphosphoryl-2-pyridinyl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(6-diphenylphosphoryl-2-pyridinyl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine is O=P(c1ccccc1)(c1ccccc1)c1cccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)n1.
What is the InChIKey of 4-N-(6-diphenylphosphoryl-2-pyridinyl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
The InChIKey is CSVHBAOVJPWXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H32N3OP/c45-46(38-23-12-4-13-24-38,39-25-14-5-15-26-39)41-28-16-27-40(42-41)44(35-21-10-3-11-22-35)37-31-29-36(30-32-37)43(33-17-6-1-7-18-33)34-19-8-2-9-20-34/h1-32H.
What are the key properties of 4-N-(6-diphenylphosphoryl-2-pyridinyl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
4-N-(6-diphenylphosphoryl-2-pyridinyl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine has a molecular weight of 613.70 g/mol, XLogP of 9.66, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(6-diphenylphosphoryl-2-pyridinyl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine is sourced from PubChem (CID 58518338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).