1-N,3-N-bis[4-(4-aminophenyl)phenyl]-5-hydroxybenzene-1,3-dicarboxamide

C32H26N4O3 — CID 139769454

IUPAC1-N,3-N-bis[4-(4-aminophenyl)phenyl]-5-hydroxybenzene-1,3-dicarboxamide
SMILESNc1ccc(-c2ccc(NC(=O)c3cc(O)cc(C(=O)Nc4ccc(-c5ccc(N)cc5)cc4)c3)cc2)cc1
InChIInChI=1S/C32H26N4O3/c33-26-9-1-20(2-10-26)22-5-13-28(14-6-22)35-31(38)24-17-25(19-30(37)18-24)32(39)36-29-15-7-23(8-16-29)21-3-11-27(34)12-4-21/h1-19,37H,33-34H2,(H,35,38)(H,36,39)
InChIKeyHNQMBEKJIKNOSE-UHFFFAOYSA-N
MW514.59 g/mol
LogP6.40
Rot. Bonds6

About 1-N,3-N-bis[4-(4-aminophenyl)phenyl]-5-hydroxybenzene-1,3-dicarboxamide

1-N,3-N-bis[4-(4-aminophenyl)phenyl]-5-hydroxybenzene-1,3-dicarboxamide (PubChem CID 139769454) has the molecular formula C32H26N4O3 and a molecular weight of 514.59 g/mol. Its IUPAC name is 1-N,3-N-bis[4-(4-aminophenyl)phenyl]-5-hydroxybenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis[4-(4-aminophenyl)phenyl]-5-hydroxybenzene-1,3-dicarboxamide
PubChem CID139769454
Molecular FormulaC32H26N4O3
Molecular Weight514.59 g/mol
Exact Mass514.20
IUPAC Name1-N,3-N-bis[4-(4-aminophenyl)phenyl]-5-hydroxybenzene-1,3-dicarboxamide
SMILESNc1ccc(-c2ccc(NC(=O)c3cc(O)cc(C(=O)Nc4ccc(-c5ccc(N)cc5)cc4)c3)cc2)cc1
InChIInChI=1S/C32H26N4O3/c33-26-9-1-20(2-10-26)22-5-13-28(14-6-22)35-31(38)24-17-25(19-30(37)18-24)32(39)36-29-15-7-23(8-16-29)21-3-11-27(34)12-4-21/h1-19,37H,33-34H2,(H,35,38)(H,36,39)
InChIKeyHNQMBEKJIKNOSE-UHFFFAOYSA-N
XLogP6.40
TPSA130.47 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.59
LogP ≤ 56.40
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

4-amino-N-[4-[3-amino-5-[4-[(4-aminobenzoyl)amino]phenyl]phenyl]phenyl]benzamide
CID 150367219
N-(4-aminophenyl)-5-hydroxypyridine-3-carboxamide
CID 63851550
N-(4-aminophenyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide
CID 63215140
3-N-(4-aminophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 158719298
1-N,3-N-bis(3-amino-4-methylphenyl)-5-hydroxybenzene-1,3-dicarboxamide
CID 139753115
4-amino-N-(4-hydroxyphenyl)benzamide;N-methylmethanamine;propane
CID 145495797
1-N,3-N-bis[3-(4-aminophenoxy)-4-methylphenyl]-5-hydroxybenzene-1,3-dicarboxamide
CID 19832585
N-(4-fluorophenyl)-3,5-dihydroxybenzamide
CID 103891338
N-(4-tert-butylphenyl)-3,5-dihydroxybenzamide
CID 103891366
3-amino-N-(4-phenylphenyl)benzamide
CID 757806
N-(4-aminophenyl)-3-fluoro-5-methylbenzamide
CID 113265229
5-[4-[[3-[4-[[3-(4-aminophenoxy)-5-[[4-[3,5-bis[[4-(3,5-dicarboxyphenoxy)phenyl]carbamoyl]phenoxy]phenyl]carbamoyl]benzoyl]amino]phenoxy]-5-[[4-(3,5-dicarboxyphenoxy)phenyl]carbamoyl]benzoyl]amino]phenoxy]benzene-1,3-dicarboxylic acid
CID 101423023

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis[4-(4-aminophenyl)phenyl]-5-hydroxybenzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis[4-(4-aminophenyl)phenyl]-5-hydroxybenzene-1,3-dicarboxamide (CID 139769454) is 1-N,3-N-bis[4-(4-aminophenyl)phenyl]-5-hydroxybenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis[4-(4-aminophenyl)phenyl]-5-hydroxybenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis[4-(4-aminophenyl)phenyl]-5-hydroxybenzene-1,3-dicarboxamide is Nc1ccc(-c2ccc(NC(=O)c3cc(O)cc(C(=O)Nc4ccc(-c5ccc(N)cc5)cc4)c3)cc2)cc1.
What is the InChIKey of 1-N,3-N-bis[4-(4-aminophenyl)phenyl]-5-hydroxybenzene-1,3-dicarboxamide?
The InChIKey is HNQMBEKJIKNOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N4O3/c33-26-9-1-20(2-10-26)22-5-13-28(14-6-22)35-31(38)24-17-25(19-30(37)18-24)32(39)36-29-15-7-23(8-16-29)21-3-11-27(34)12-4-21/h1-19,37H,33-34H2,(H,35,38)(H,36,39).
What are the key properties of 1-N,3-N-bis[4-(4-aminophenyl)phenyl]-5-hydroxybenzene-1,3-dicarboxamide?
1-N,3-N-bis[4-(4-aminophenyl)phenyl]-5-hydroxybenzene-1,3-dicarboxamide has a molecular weight of 514.59 g/mol, XLogP of 6.40, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis[4-(4-aminophenyl)phenyl]-5-hydroxybenzene-1,3-dicarboxamide is sourced from PubChem (CID 139769454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).