(N-anilinoanilino)-oxophosphanium

C12H12N2OP+ — CID 173011072

IUPAC(N-anilinoanilino)-oxophosphanium
SMILESO=[PH+]N(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C12H11N2OP/c15-16-14(12-9-5-2-6-10-12)13-11-7-3-1-4-8-11/h1-10,13H/p+1
InChIKeyGTQFFDZPWDYEDA-UHFFFAOYSA-O
MW231.22 g/mol
LogP3.46
Rot. Bonds4

About (N-anilinoanilino)-oxophosphanium

(N-anilinoanilino)-oxophosphanium (PubChem CID 173011072) has the molecular formula C12H12N2OP+ and a molecular weight of 231.22 g/mol. Its IUPAC name is (N-anilinoanilino)-oxophosphanium.

Molecular Properties

Compound Name(N-anilinoanilino)-oxophosphanium
PubChem CID173011072
Molecular FormulaC12H12N2OP+
Molecular Weight231.22 g/mol
Exact Mass231.07
IUPAC Name(N-anilinoanilino)-oxophosphanium
SMILESO=[PH+]N(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C12H11N2OP/c15-16-14(12-9-5-2-6-10-12)13-11-7-3-1-4-8-11/h1-10,13H/p+1
InChIKeyGTQFFDZPWDYEDA-UHFFFAOYSA-O
XLogP3.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

carbonic acid;1,1,2-triphenylhydrazine
CID 160785821
1,2-diphenyl-1-(4-phenylsulfanylphenyl)hydrazine
CID 154021560
1-ethyl-1,2-diphenylhydrazine
CID 12616656
1,1-dihydroxy-2-phenylhydrazine
CID 154285803
anilino(carboxy)carbamic acid
CID 154327082
N'-(anilinomethyl)-N,N'-diphenylmethanediamine
CID 20668878
amino(anilino)carbamic acid
CID 151128185
1-anilino-1,3-diphenylthiourea
CID 71327325
N-[anilino-(N-dianilinophosphorylanilino)phosphoryl]aniline
CID 139073368
1-(4-ethenylphenyl)-1,2-diphenylhydrazine
CID 150486079
N-chloroalumanylaniline
CID 173180137
N,N',N'-triphenyloxamide
CID 54357836

Frequently Asked Questions

What is the IUPAC name of (N-anilinoanilino)-oxophosphanium?
The IUPAC name of (N-anilinoanilino)-oxophosphanium (CID 173011072) is (N-anilinoanilino)-oxophosphanium.
What is the SMILES notation for (N-anilinoanilino)-oxophosphanium?
The canonical SMILES for (N-anilinoanilino)-oxophosphanium is O=[PH+]N(Nc1ccccc1)c1ccccc1.
What is the InChIKey of (N-anilinoanilino)-oxophosphanium?
The InChIKey is GTQFFDZPWDYEDA-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H11N2OP/c15-16-14(12-9-5-2-6-10-12)13-11-7-3-1-4-8-11/h1-10,13H/p+1.
What are the key properties of (N-anilinoanilino)-oxophosphanium?
(N-anilinoanilino)-oxophosphanium has a molecular weight of 231.22 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (N-anilinoanilino)-oxophosphanium is sourced from PubChem (CID 173011072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).