4-amino-N-[4-[3-amino-5-[4-[(4-aminobenzoyl)amino]phenyl]phenyl]phenyl]benzamide

C32H27N5O2 — CID 150367219

IUPAC4-amino-N-[4-[3-amino-5-[4-[(4-aminobenzoyl)amino]phenyl]phenyl]phenyl]benzamide
SMILESNc1ccc(C(=O)Nc2ccc(-c3cc(N)cc(-c4ccc(NC(=O)c5ccc(N)cc5)cc4)c3)cc2)cc1
InChIInChI=1S/C32H27N5O2/c33-26-9-1-22(2-10-26)31(38)36-29-13-5-20(6-14-29)24-17-25(19-28(35)18-24)21-7-15-30(16-8-21)37-32(39)23-3-11-27(34)12-4-23/h1-19H,33-35H2,(H,36,38)(H,37,39)
InChIKeyGWYSZHRDRNIXIR-UHFFFAOYSA-N
MW513.60 g/mol
LogP6.27
Rot. Bonds6

About 4-amino-N-[4-[3-amino-5-[4-[(4-aminobenzoyl)amino]phenyl]phenyl]phenyl]benzamide

4-amino-N-[4-[3-amino-5-[4-[(4-aminobenzoyl)amino]phenyl]phenyl]phenyl]benzamide (PubChem CID 150367219) has the molecular formula C32H27N5O2 and a molecular weight of 513.60 g/mol. Its IUPAC name is 4-amino-N-[4-[3-amino-5-[4-[(4-aminobenzoyl)amino]phenyl]phenyl]phenyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[4-[3-amino-5-[4-[(4-aminobenzoyl)amino]phenyl]phenyl]phenyl]benzamide
PubChem CID150367219
Molecular FormulaC32H27N5O2
Molecular Weight513.60 g/mol
Exact Mass513.22
IUPAC Name4-amino-N-[4-[3-amino-5-[4-[(4-aminobenzoyl)amino]phenyl]phenyl]phenyl]benzamide
SMILESNc1ccc(C(=O)Nc2ccc(-c3cc(N)cc(-c4ccc(NC(=O)c5ccc(N)cc5)cc4)c3)cc2)cc1
InChIInChI=1S/C32H27N5O2/c33-26-9-1-22(2-10-26)31(38)36-29-13-5-20(6-14-29)24-17-25(19-28(35)18-24)21-7-15-30(16-8-21)37-32(39)23-3-11-27(34)12-4-23/h1-19H,33-35H2,(H,36,38)(H,37,39)
InChIKeyGWYSZHRDRNIXIR-UHFFFAOYSA-N
XLogP6.27
TPSA136.26 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.60
LogP ≤ 56.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N,3-N-bis[4-(4-aminophenyl)phenyl]-5-hydroxybenzene-1,3-dicarboxamide
CID 139769454
4-amino-N-(4-aminophenyl)benzamide;ethanamine
CID 19078068
4-amino-N-[4-[[4-[(4-aminobenzoyl)amino]phenyl]diazenyl]phenyl]benzamide
CID 134597340
4-(aminomethyl)-N-(4-aminophenyl)benzamide
CID 90103909
N-(4-aminophenyl)-4-ethenylbenzamide
CID 13082944
2-N,6-N-bis[4-(4-aminoanilino)phenyl]naphthalene-2,6-dicarboxamide
CID 141400871
N-(4-aminophenyl)-4-(2-methylpropanoyl)benzamide;2-methylpropane
CID 144512975
3-N-(4-aminophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 158719298
N-(4-aminophenyl)-4-(diaminomethylideneamino)benzamide
CID 12925886
4-amino-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 60926943
1-N,4-N-bis(4-pyridin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 171423296
N-(4-aminophenyl)benzamide;ethane;ethene
CID 144544387

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-[3-amino-5-[4-[(4-aminobenzoyl)amino]phenyl]phenyl]phenyl]benzamide?
The IUPAC name of 4-amino-N-[4-[3-amino-5-[4-[(4-aminobenzoyl)amino]phenyl]phenyl]phenyl]benzamide (CID 150367219) is 4-amino-N-[4-[3-amino-5-[4-[(4-aminobenzoyl)amino]phenyl]phenyl]phenyl]benzamide.
What is the SMILES notation for 4-amino-N-[4-[3-amino-5-[4-[(4-aminobenzoyl)amino]phenyl]phenyl]phenyl]benzamide?
The canonical SMILES for 4-amino-N-[4-[3-amino-5-[4-[(4-aminobenzoyl)amino]phenyl]phenyl]phenyl]benzamide is Nc1ccc(C(=O)Nc2ccc(-c3cc(N)cc(-c4ccc(NC(=O)c5ccc(N)cc5)cc4)c3)cc2)cc1.
What is the InChIKey of 4-amino-N-[4-[3-amino-5-[4-[(4-aminobenzoyl)amino]phenyl]phenyl]phenyl]benzamide?
The InChIKey is GWYSZHRDRNIXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N5O2/c33-26-9-1-22(2-10-26)31(38)36-29-13-5-20(6-14-29)24-17-25(19-28(35)18-24)21-7-15-30(16-8-21)37-32(39)23-3-11-27(34)12-4-23/h1-19H,33-35H2,(H,36,38)(H,37,39).
What are the key properties of 4-amino-N-[4-[3-amino-5-[4-[(4-aminobenzoyl)amino]phenyl]phenyl]phenyl]benzamide?
4-amino-N-[4-[3-amino-5-[4-[(4-aminobenzoyl)amino]phenyl]phenyl]phenyl]benzamide has a molecular weight of 513.60 g/mol, XLogP of 6.27, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-[3-amino-5-[4-[(4-aminobenzoyl)amino]phenyl]phenyl]phenyl]benzamide is sourced from PubChem (CID 150367219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).