[2-(N-(4-bromophenyl)anilino)phenyl]-methyl-diphenylphosphanium

C31H26BrNP+ — CID 102341261

IUPAC[2-(N-(4-bromophenyl)anilino)phenyl]-methyl-diphenylphosphanium
SMILESC[P+](c1ccccc1)(c1ccccc1)c1ccccc1N(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C31H26BrNP/c1-34(28-15-7-3-8-16-28,29-17-9-4-10-18-29)31-20-12-11-19-30(31)33(26-13-5-2-6-14-26)27-23-21-25(32)22-24-27/h2-24H,1H3/q+1
InChIKeyOQOBCQXGDSJXFW-UHFFFAOYSA-N
MW523.43 g/mol
LogP7.84
Rot. Bonds6

About [2-(N-(4-bromophenyl)anilino)phenyl]-methyl-diphenylphosphanium

[2-(N-(4-bromophenyl)anilino)phenyl]-methyl-diphenylphosphanium (PubChem CID 102341261) has the molecular formula C31H26BrNP+ and a molecular weight of 523.43 g/mol. Its IUPAC name is [2-(N-(4-bromophenyl)anilino)phenyl]-methyl-diphenylphosphanium.

Molecular Properties

Compound Name[2-(N-(4-bromophenyl)anilino)phenyl]-methyl-diphenylphosphanium
PubChem CID102341261
Molecular FormulaC31H26BrNP+
Molecular Weight523.43 g/mol
Exact Mass522.10
IUPAC Name[2-(N-(4-bromophenyl)anilino)phenyl]-methyl-diphenylphosphanium
SMILESC[P+](c1ccccc1)(c1ccccc1)c1ccccc1N(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C31H26BrNP/c1-34(28-15-7-3-8-16-28,29-17-9-4-10-18-29)31-20-12-11-19-30(31)33(26-13-5-2-6-14-26)27-23-21-25(32)22-24-27/h2-24H,1H3/q+1
InChIKeyOQOBCQXGDSJXFW-UHFFFAOYSA-N
XLogP7.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.43
LogP ≤ 57.84
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

dimethyl-[2-(N-(4-methylphenyl)anilino)phenyl]-phenylphosphanium
CID 127262754
4-(4-bromophenyl)-N,N-diphenylaniline;ethane
CID 143813884
1-N,2-N-diphenyl-1-N,2-N-bis[4-(N-phenylanilino)phenyl]benzene-1,2-diamine
CID 24872736
N-(4-bromophenyl)-4-diphenylphosphanyl-N-phenylaniline
CID 122219455
2-bromo-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 170040263
N-[4-[4-(4-bromo-N-(2-phenylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)-2-phenylaniline
CID 155198907
N-[4-(4-bromophenyl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-(4-bromophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 160874814
2-bromo-N-(4-methylphenyl)-N-phenylaniline
CID 138413970
manganese(2+);methyl(triphenyl)phosphanium;dibromide
CID 175373163
N-(4-bromophenyl)-N-(2-methylphenyl)pyridin-4-amine
CID 67286698
N-phenyl-2-propan-2-yl-N-[4-[4-(N-(2-propan-2-ylphenyl)anilino)phenyl]phenyl]aniline
CID 19420171
N-[4-[2-(4-bromophenyl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 121327931

Frequently Asked Questions

What is the IUPAC name of [2-(N-(4-bromophenyl)anilino)phenyl]-methyl-diphenylphosphanium?
The IUPAC name of [2-(N-(4-bromophenyl)anilino)phenyl]-methyl-diphenylphosphanium (CID 102341261) is [2-(N-(4-bromophenyl)anilino)phenyl]-methyl-diphenylphosphanium.
What is the SMILES notation for [2-(N-(4-bromophenyl)anilino)phenyl]-methyl-diphenylphosphanium?
The canonical SMILES for [2-(N-(4-bromophenyl)anilino)phenyl]-methyl-diphenylphosphanium is C[P+](c1ccccc1)(c1ccccc1)c1ccccc1N(c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of [2-(N-(4-bromophenyl)anilino)phenyl]-methyl-diphenylphosphanium?
The InChIKey is OQOBCQXGDSJXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26BrNP/c1-34(28-15-7-3-8-16-28,29-17-9-4-10-18-29)31-20-12-11-19-30(31)33(26-13-5-2-6-14-26)27-23-21-25(32)22-24-27/h2-24H,1H3/q+1.
What are the key properties of [2-(N-(4-bromophenyl)anilino)phenyl]-methyl-diphenylphosphanium?
[2-(N-(4-bromophenyl)anilino)phenyl]-methyl-diphenylphosphanium has a molecular weight of 523.43 g/mol, XLogP of 7.84, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-(4-bromophenyl)anilino)phenyl]-methyl-diphenylphosphanium is sourced from PubChem (CID 102341261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).