3,4-diphenylbenzene-1,2-diamine;phosphoric acid

C18H19N2O4P — CID 163364903

IUPAC3,4-diphenylbenzene-1,2-diamine;phosphoric acid
SMILESNc1ccc(-c2ccccc2)c(-c2ccccc2)c1N.O=P(O)(O)O
InChIInChI=1S/C18H16N2.H3O4P/c19-16-12-11-15(13-7-3-1-4-8-13)17(18(16)20)14-9-5-2-6-10-14;1-5(2,3)4/h1-12H,19-20H2;(H3,1,2,3,4)
InChIKeyMERRJJBOCLUTAS-UHFFFAOYSA-N
MW358.33 g/mol
LogP3.26
Rot. Bonds2

About 3,4-diphenylbenzene-1,2-diamine;phosphoric acid

3,4-diphenylbenzene-1,2-diamine;phosphoric acid (PubChem CID 163364903) has the molecular formula C18H19N2O4P and a molecular weight of 358.33 g/mol. Its IUPAC name is 3,4-diphenylbenzene-1,2-diamine;phosphoric acid.

Molecular Properties

Compound Name3,4-diphenylbenzene-1,2-diamine;phosphoric acid
PubChem CID163364903
Molecular FormulaC18H19N2O4P
Molecular Weight358.33 g/mol
Exact Mass358.11
IUPAC Name3,4-diphenylbenzene-1,2-diamine;phosphoric acid
SMILESNc1ccc(-c2ccccc2)c(-c2ccccc2)c1N.O=P(O)(O)O
InChIInChI=1S/C18H16N2.H3O4P/c19-16-12-11-15(13-7-3-1-4-8-13)17(18(16)20)14-9-5-2-6-10-14;1-5(2,3)4/h1-12H,19-20H2;(H3,1,2,3,4)
InChIKeyMERRJJBOCLUTAS-UHFFFAOYSA-N
XLogP3.26
TPSA129.80 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.33
LogP ≤ 53.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-diphenylbenzamide;phosphoric acid
CID 68745056
4-(3,4-diamino-2-phenylphenyl)sulfinyl-3-phenylbenzene-1,2-diamine
CID 54423063
(4-amino-2,3-diphenylanilino)phosphonic acid
CID 175850211
2,4,6-triphenylbenzene-1,3,5-triamine
CID 22926582
3-phenylbenzene-1,2-diamine
CID 18968019
1-methyl-4-(2-phenylphenyl)benzene;phosphoric acid
CID 67896941
1-methyl-2-phenylbenzene;phosphoric acid
CID 159087333
4-methoxy-3-phenylbenzene-1,2-diamine
CID 174361445
2,3-diamino-6-phenylbenzonitrile
CID 59218657
4-(4-aminophenyl)-3-(2-methylphenyl)benzene-1,2-diamine
CID 141121042
4,5-diamino-2,3-diphenylphenol
CID 154143783
6-amino-2-methyl-3-phenylphenol
CID 175328726

Frequently Asked Questions

What is the IUPAC name of 3,4-diphenylbenzene-1,2-diamine;phosphoric acid?
The IUPAC name of 3,4-diphenylbenzene-1,2-diamine;phosphoric acid (CID 163364903) is 3,4-diphenylbenzene-1,2-diamine;phosphoric acid.
What is the SMILES notation for 3,4-diphenylbenzene-1,2-diamine;phosphoric acid?
The canonical SMILES for 3,4-diphenylbenzene-1,2-diamine;phosphoric acid is Nc1ccc(-c2ccccc2)c(-c2ccccc2)c1N.O=P(O)(O)O.
What is the InChIKey of 3,4-diphenylbenzene-1,2-diamine;phosphoric acid?
The InChIKey is MERRJJBOCLUTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2.H3O4P/c19-16-12-11-15(13-7-3-1-4-8-13)17(18(16)20)14-9-5-2-6-10-14;1-5(2,3)4/h1-12H,19-20H2;(H3,1,2,3,4).
What are the key properties of 3,4-diphenylbenzene-1,2-diamine;phosphoric acid?
3,4-diphenylbenzene-1,2-diamine;phosphoric acid has a molecular weight of 358.33 g/mol, XLogP of 3.26, 2 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diphenylbenzene-1,2-diamine;phosphoric acid is sourced from PubChem (CID 163364903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).