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

C30H22F2NOP — CID 121406452

IUPAC3-diphenylphosphoryl-N,N-bis(4-fluorophenyl)aniline
SMILESO=P(c1ccccc1)(c1ccccc1)c1cccc(N(c2ccc(F)cc2)c2ccc(F)cc2)c1
InChIInChI=1S/C30H22F2NOP/c31-23-14-18-25(19-15-23)33(26-20-16-24(32)17-21-26)27-8-7-13-30(22-27)35(34,28-9-3-1-4-10-28)29-11-5-2-6-12-29/h1-22H
InChIKeyMJTVLALZNWQHGW-UHFFFAOYSA-N
MW481.48 g/mol
LogP7.07
Rot. Bonds6

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

3-diphenylphosphoryl-N,N-bis(4-fluorophenyl)aniline (PubChem CID 121406452) has the molecular formula C30H22F2NOP and a molecular weight of 481.48 g/mol. Its IUPAC name is 3-diphenylphosphoryl-N,N-bis(4-fluorophenyl)aniline.

Molecular Properties

Compound Name3-diphenylphosphoryl-N,N-bis(4-fluorophenyl)aniline
PubChem CID121406452
Molecular FormulaC30H22F2NOP
Molecular Weight481.48 g/mol
Exact Mass481.14
IUPAC Name3-diphenylphosphoryl-N,N-bis(4-fluorophenyl)aniline
SMILESO=P(c1ccccc1)(c1ccccc1)c1cccc(N(c2ccc(F)cc2)c2ccc(F)cc2)c1
InChIInChI=1S/C30H22F2NOP/c31-23-14-18-25(19-15-23)33(26-20-16-24(32)17-21-26)27-8-7-13-30(22-27)35(34,28-9-3-1-4-10-28)29-11-5-2-6-12-29/h1-22H
InChIKeyMJTVLALZNWQHGW-UHFFFAOYSA-N
XLogP7.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.48
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-diphenylphosphoryl-N,N-bis(4-methoxyphenyl)aniline
CID 121406472
1-N,1-N,3-N-triphenyl-3-N-[3-(N-[3-(N-[3-(N-phenylanilino)phenyl]anilino)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 58623553
1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 4163727
3-[[3-[bis(oxiran-2-ylmethyl)amino]phenyl]-phenylphosphoryl]-N,N-bis(oxiran-2-ylmethyl)aniline
CID 166039056
1-diphenylphosphoryl-3-(3-diphenylphosphorylphenyl)benzene
CID 88865103
4-[2-(4-diphenylphosphorylphenyl)-4-pyridinyl]-N,N-diphenylaniline
CID 102144285
3-N-[3-(N-[3-(N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]anilino)-5-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine
CID 155054486
N,N-diphenyl-3-[4-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline;N,N-diphenyl-3-[4-[3-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 159305688
N,3-diphenyl-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 59090384
N,3-diphenyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 22013506
11-diphenylphosphoryl-N,N,6-triphenylbenzo[k]phenanthridin-3-amine
CID 171054642
4-ethyl-N-(4-fluorophenyl)-N-phenylaniline
CID 154721984

Frequently Asked Questions

What is the IUPAC name of 3-diphenylphosphoryl-N,N-bis(4-fluorophenyl)aniline?
The IUPAC name of 3-diphenylphosphoryl-N,N-bis(4-fluorophenyl)aniline (CID 121406452) is 3-diphenylphosphoryl-N,N-bis(4-fluorophenyl)aniline.
What is the SMILES notation for 3-diphenylphosphoryl-N,N-bis(4-fluorophenyl)aniline?
The canonical SMILES for 3-diphenylphosphoryl-N,N-bis(4-fluorophenyl)aniline is O=P(c1ccccc1)(c1ccccc1)c1cccc(N(c2ccc(F)cc2)c2ccc(F)cc2)c1.
What is the InChIKey of 3-diphenylphosphoryl-N,N-bis(4-fluorophenyl)aniline?
The InChIKey is MJTVLALZNWQHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22F2NOP/c31-23-14-18-25(19-15-23)33(26-20-16-24(32)17-21-26)27-8-7-13-30(22-27)35(34,28-9-3-1-4-10-28)29-11-5-2-6-12-29/h1-22H.
What are the key properties of 3-diphenylphosphoryl-N,N-bis(4-fluorophenyl)aniline?
3-diphenylphosphoryl-N,N-bis(4-fluorophenyl)aniline has a molecular weight of 481.48 g/mol, XLogP of 7.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diphenylphosphoryl-N,N-bis(4-fluorophenyl)aniline is sourced from PubChem (CID 121406452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).