3-diphenylphosphoryl-N,N-bis(4-methoxyphenyl)aniline

C32H28NO3P — CID 121406472

IUPAC3-diphenylphosphoryl-N,N-bis(4-methoxyphenyl)aniline
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2cccc(P(=O)(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C32H28NO3P/c1-35-28-20-16-25(17-21-28)33(26-18-22-29(36-2)23-19-26)27-10-9-15-32(24-27)37(34,30-11-5-3-6-12-30)31-13-7-4-8-14-31/h3-24H,1-2H3
InChIKeyXANVMLRUQWZRHV-UHFFFAOYSA-N
MW505.55 g/mol
LogP6.81
Rot. Bonds8

About 3-diphenylphosphoryl-N,N-bis(4-methoxyphenyl)aniline

3-diphenylphosphoryl-N,N-bis(4-methoxyphenyl)aniline (PubChem CID 121406472) has the molecular formula C32H28NO3P and a molecular weight of 505.55 g/mol. Its IUPAC name is 3-diphenylphosphoryl-N,N-bis(4-methoxyphenyl)aniline.

Molecular Properties

Compound Name3-diphenylphosphoryl-N,N-bis(4-methoxyphenyl)aniline
PubChem CID121406472
Molecular FormulaC32H28NO3P
Molecular Weight505.55 g/mol
Exact Mass505.18
IUPAC Name3-diphenylphosphoryl-N,N-bis(4-methoxyphenyl)aniline
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2cccc(P(=O)(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C32H28NO3P/c1-35-28-20-16-25(17-21-28)33(26-18-22-29(36-2)23-19-26)27-10-9-15-32(24-27)37(34,30-11-5-3-6-12-30)31-13-7-4-8-14-31/h3-24H,1-2H3
InChIKeyXANVMLRUQWZRHV-UHFFFAOYSA-N
XLogP6.81
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.55
LogP ≤ 56.81
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

3-diphenylphosphoryl-N,N-bis(4-fluorophenyl)aniline
CID 121406452
1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 132507926
4-[4-[N-(4-methoxyphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 90228188
4-[4-(N-(4-methoxyphenyl)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 90228198
1-N,4-N-bis[4-(4-methoxy-N-(3-methylphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59738736
N-(4-methoxyphenyl)-N-phenylnaphthalen-2-amine
CID 15905236
6-methoxy-N-[4-[4-(N-(6-methoxynaphthalen-2-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 101349643
3,5-dimethoxy-N-(4-methoxyphenyl)-N-phenylaniline
CID 101074592
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;3-methoxy-N-[4-[4-(N-(3-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline;N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-4-methyl-N-phenylaniline;hydrate
CID 161136163
6-N,16-N-bis(4-methoxyphenyl)-6-N,16-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine
CID 166032295
1-N,1-N,4-N,4-N-tetrakis(3-methoxyphenyl)benzene-1,4-diamine
CID 22900292
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647

Frequently Asked Questions

What is the IUPAC name of 3-diphenylphosphoryl-N,N-bis(4-methoxyphenyl)aniline?
The IUPAC name of 3-diphenylphosphoryl-N,N-bis(4-methoxyphenyl)aniline (CID 121406472) is 3-diphenylphosphoryl-N,N-bis(4-methoxyphenyl)aniline.
What is the SMILES notation for 3-diphenylphosphoryl-N,N-bis(4-methoxyphenyl)aniline?
The canonical SMILES for 3-diphenylphosphoryl-N,N-bis(4-methoxyphenyl)aniline is COc1ccc(N(c2ccc(OC)cc2)c2cccc(P(=O)(c3ccccc3)c3ccccc3)c2)cc1.
What is the InChIKey of 3-diphenylphosphoryl-N,N-bis(4-methoxyphenyl)aniline?
The InChIKey is XANVMLRUQWZRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28NO3P/c1-35-28-20-16-25(17-21-28)33(26-18-22-29(36-2)23-19-26)27-10-9-15-32(24-27)37(34,30-11-5-3-6-12-30)31-13-7-4-8-14-31/h3-24H,1-2H3.
What are the key properties of 3-diphenylphosphoryl-N,N-bis(4-methoxyphenyl)aniline?
3-diphenylphosphoryl-N,N-bis(4-methoxyphenyl)aniline has a molecular weight of 505.55 g/mol, XLogP of 6.81, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diphenylphosphoryl-N,N-bis(4-methoxyphenyl)aniline is sourced from PubChem (CID 121406472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).