(benzhydrylideneamino)-triphenylphosphanium

C31H25NP+ — CID 5257506

IUPAC(benzhydrylideneamino)-triphenylphosphanium
SMILESc1ccc(C(=N[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H25NP/c1-6-16-26(17-7-1)31(27-18-8-2-9-19-27)32-33(28-20-10-3-11-21-28,29-22-12-4-13-23-29)30-24-14-5-15-25-30/h1-25H/q+1
InChIKeyBBSIOQBVLPKKBO-UHFFFAOYSA-N
MW442.52 g/mol
LogP6.43
Rot. Bonds6

About (benzhydrylideneamino)-triphenylphosphanium

(benzhydrylideneamino)-triphenylphosphanium (PubChem CID 5257506) has the molecular formula C31H25NP+ and a molecular weight of 442.52 g/mol. Its IUPAC name is (benzhydrylideneamino)-triphenylphosphanium.

Molecular Properties

Compound Name(benzhydrylideneamino)-triphenylphosphanium
PubChem CID5257506
Molecular FormulaC31H25NP+
Molecular Weight442.52 g/mol
Exact Mass442.17
IUPAC Name(benzhydrylideneamino)-triphenylphosphanium
SMILESc1ccc(C(=N[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H25NP/c1-6-16-26(17-7-1)31(27-18-8-2-9-19-27)32-33(28-20-10-3-11-21-28,29-22-12-4-13-23-29)30-24-14-5-15-25-30/h1-25H/q+1
InChIKeyBBSIOQBVLPKKBO-UHFFFAOYSA-N
XLogP6.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

tetradecakis(oxygen(2-));rhenium;tetrakis(tetraphenylphosphanium)
CID 139134309
2-(benzhydrylideneamino)butanedioic acid
CID 87406394
1,1-diphenyl-N-(4-phenylbutan-2-yl)methan(15N)imine
CID 170780708
2-(benzhydrylideneamino)butanenitrile
CID 24977176
2-(benzhydrylideneamino)butanoate
CID 23167400
1,1-diphenyl-N-[1-(2,4,6-trimethylphenyl)ethyl]methanimine
CID 589790
2-(benzhydrylideneamino)-4-methylpentanoic acid
CID 87285851
2-[N-[(1S,2S)-2-[[(2-hydroxyphenyl)-phenylmethylidene]amino]-1,2-diphenylethyl]-C-phenylcarbonimidoyl]phenol
CID 136694433
(3R,4R)-4-(benzhydrylideneamino)-1,3,4-triphenylbutan-1-one
CID 27153365
3-(benzhydrylideneamino)-4-phenylbutan-2-one
CID 22967228
5-(benzhydrylideneamino)hexan-2-one
CID 21343384
2-(benzhydrylideneamino)-4,4,4-trifluorobutanenitrile
CID 170357738

Frequently Asked Questions

What is the IUPAC name of (benzhydrylideneamino)-triphenylphosphanium?
The IUPAC name of (benzhydrylideneamino)-triphenylphosphanium (CID 5257506) is (benzhydrylideneamino)-triphenylphosphanium.
What is the SMILES notation for (benzhydrylideneamino)-triphenylphosphanium?
The canonical SMILES for (benzhydrylideneamino)-triphenylphosphanium is c1ccc(C(=N[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (benzhydrylideneamino)-triphenylphosphanium?
The InChIKey is BBSIOQBVLPKKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25NP/c1-6-16-26(17-7-1)31(27-18-8-2-9-19-27)32-33(28-20-10-3-11-21-28,29-22-12-4-13-23-29)30-24-14-5-15-25-30/h1-25H/q+1.
What are the key properties of (benzhydrylideneamino)-triphenylphosphanium?
(benzhydrylideneamino)-triphenylphosphanium has a molecular weight of 442.52 g/mol, XLogP of 6.43, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (benzhydrylideneamino)-triphenylphosphanium is sourced from PubChem (CID 5257506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).