N-(4-bromophenyl)-4-diphenylphosphanyl-N-phenylaniline

C30H23BrNP — CID 122219455

IUPACN-(4-bromophenyl)-4-diphenylphosphanyl-N-phenylaniline
SMILESBrc1ccc(N(c2ccccc2)c2ccc(P(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C30H23BrNP/c31-24-16-18-26(19-17-24)32(25-10-4-1-5-11-25)27-20-22-30(23-21-27)33(28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-23H
InChIKeyQKTQBWPQXLONKL-UHFFFAOYSA-N
MW508.40 g/mol
LogP7.68
Rot. Bonds6

About N-(4-bromophenyl)-4-diphenylphosphanyl-N-phenylaniline

N-(4-bromophenyl)-4-diphenylphosphanyl-N-phenylaniline (PubChem CID 122219455) has the molecular formula C30H23BrNP and a molecular weight of 508.40 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-diphenylphosphanyl-N-phenylaniline.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-diphenylphosphanyl-N-phenylaniline
PubChem CID122219455
Molecular FormulaC30H23BrNP
Molecular Weight508.40 g/mol
Exact Mass507.08
IUPAC NameN-(4-bromophenyl)-4-diphenylphosphanyl-N-phenylaniline
SMILESBrc1ccc(N(c2ccccc2)c2ccc(P(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C30H23BrNP/c31-24-16-18-26(19-17-24)32(25-10-4-1-5-11-25)27-20-22-30(23-21-27)33(28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-23H
InChIKeyQKTQBWPQXLONKL-UHFFFAOYSA-N
XLogP7.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.40
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(4-bromophenyl)-N,N-diphenylaniline;ethane
CID 143813884
N,N-bis(4-bromophenyl)-4-(1,2,2-triphenylethenyl)aniline
CID 132556766
N-[4-(4-bromophenyl)phenyl]-N,3,5-triphenylaniline
CID 121327890
triphenylphosphane
CID 139056248
aniline;4-bromo-N-(4-bromophenyl)-N-phenylaniline;1-bromo-4-iodobenzene
CID 160589758
1-N,1-N,3-N,3-N,5-N,5-N-hexakis(4-bromophenyl)benzene-1,3,5-triamine
CID 134943535
ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine
CID 91310242
1-benzyl-4-phenylbenzene;1-bromo-4-phenylbenzene;N,4-diphenyl-N-(4-phenylphenyl)aniline
CID 159014382
CID 45379131
CID 45379131
palladium;bis(triphenylphosphane)
CID 10122028
tris(triphenylphosphane);trihydrochloride
CID 173282987
tris(triphenylphosphane);hydrobromide
CID 172722268

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-diphenylphosphanyl-N-phenylaniline?
The IUPAC name of N-(4-bromophenyl)-4-diphenylphosphanyl-N-phenylaniline (CID 122219455) is N-(4-bromophenyl)-4-diphenylphosphanyl-N-phenylaniline.
What is the SMILES notation for N-(4-bromophenyl)-4-diphenylphosphanyl-N-phenylaniline?
The canonical SMILES for N-(4-bromophenyl)-4-diphenylphosphanyl-N-phenylaniline is Brc1ccc(N(c2ccccc2)c2ccc(P(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-4-diphenylphosphanyl-N-phenylaniline?
The InChIKey is QKTQBWPQXLONKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23BrNP/c31-24-16-18-26(19-17-24)32(25-10-4-1-5-11-25)27-20-22-30(23-21-27)33(28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-23H.
What are the key properties of N-(4-bromophenyl)-4-diphenylphosphanyl-N-phenylaniline?
N-(4-bromophenyl)-4-diphenylphosphanyl-N-phenylaniline has a molecular weight of 508.40 g/mol, XLogP of 7.68, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-diphenylphosphanyl-N-phenylaniline is sourced from PubChem (CID 122219455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).