(3-aminophenyl)-(4-aminophenyl)methanone;bis(3-aminophenyl)methanone

C26H24N4O2 — CID 69316817

IUPAC(3-aminophenyl)-(4-aminophenyl)methanone;bis(3-aminophenyl)methanone
SMILESNc1ccc(C(=O)c2cccc(N)c2)cc1.Nc1cccc(C(=O)c2cccc(N)c2)c1
InChIInChI=1S/2C13H12N2O/c14-11-5-1-3-9(7-11)13(16)10-4-2-6-12(15)8-10;14-11-6-4-9(5-7-11)13(16)10-2-1-3-12(15)8-10/h2*1-8H,14-15H2
InChIKeyLBTPZJBXEFDUGT-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.16
Rot. Bonds4

About (3-aminophenyl)-(4-aminophenyl)methanone;bis(3-aminophenyl)methanone

(3-aminophenyl)-(4-aminophenyl)methanone;bis(3-aminophenyl)methanone (PubChem CID 69316817) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is (3-aminophenyl)-(4-aminophenyl)methanone;bis(3-aminophenyl)methanone.

Molecular Properties

Compound Name(3-aminophenyl)-(4-aminophenyl)methanone;bis(3-aminophenyl)methanone
PubChem CID69316817
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name(3-aminophenyl)-(4-aminophenyl)methanone;bis(3-aminophenyl)methanone
SMILESNc1ccc(C(=O)c2cccc(N)c2)cc1.Nc1cccc(C(=O)c2cccc(N)c2)c1
InChIInChI=1S/2C13H12N2O/c14-11-5-1-3-9(7-11)13(16)10-4-2-6-12(15)8-10;14-11-6-4-9(5-7-11)13(16)10-2-1-3-12(15)8-10/h2*1-8H,14-15H2
InChIKeyLBTPZJBXEFDUGT-UHFFFAOYSA-N
XLogP4.16
TPSA138.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3-aminophenyl)-(4-aminophenyl)methanone;bis(4-aminophenyl)methanone
CID 160593593
(3-aminophenyl)-phenylmethanone
CID 17817
[3-(3-aminobenzoyl)phenyl]-(3-aminophenyl)methanone;hydrochloride
CID 19019928
(4-aminophenyl)-phenylmethanone
CID 14346
3-(3-aminobenzoyl)benzoic acid
CID 18974175
(3-aminophenyl)-[4-(2-phenylethynyl)phenyl]methanone
CID 23352814
(3-aminophenyl)-(3-chlorophenyl)methanone
CID 82115907
(4-aminobenzoyl) 3-aminobenzoate
CID 57114874
(4-aminophenyl)-(3-ethylphenyl)methanone
CID 116548793
(3-aminophenyl)-(4-propylsulfanylphenyl)methanone
CID 82073302
(3-aminophenyl)-(6-methyl-3-pyridinyl)methanone
CID 116548510
3-amino(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid
CID 76973010

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(4-aminophenyl)methanone;bis(3-aminophenyl)methanone?
The IUPAC name of (3-aminophenyl)-(4-aminophenyl)methanone;bis(3-aminophenyl)methanone (CID 69316817) is (3-aminophenyl)-(4-aminophenyl)methanone;bis(3-aminophenyl)methanone.
What is the SMILES notation for (3-aminophenyl)-(4-aminophenyl)methanone;bis(3-aminophenyl)methanone?
The canonical SMILES for (3-aminophenyl)-(4-aminophenyl)methanone;bis(3-aminophenyl)methanone is Nc1ccc(C(=O)c2cccc(N)c2)cc1.Nc1cccc(C(=O)c2cccc(N)c2)c1.
What is the InChIKey of (3-aminophenyl)-(4-aminophenyl)methanone;bis(3-aminophenyl)methanone?
The InChIKey is LBTPZJBXEFDUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H12N2O/c14-11-5-1-3-9(7-11)13(16)10-4-2-6-12(15)8-10;14-11-6-4-9(5-7-11)13(16)10-2-1-3-12(15)8-10/h2*1-8H,14-15H2.
What are the key properties of (3-aminophenyl)-(4-aminophenyl)methanone;bis(3-aminophenyl)methanone?
(3-aminophenyl)-(4-aminophenyl)methanone;bis(3-aminophenyl)methanone has a molecular weight of 424.50 g/mol, XLogP of 4.16, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-(4-aminophenyl)methanone;bis(3-aminophenyl)methanone is sourced from PubChem (CID 69316817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).