2-N,6-N-bis[4-(4-aminoanilino)phenyl]naphthalene-2,6-dicarboxamide

C36H30N6O2 — CID 141400871

IUPAC2-N,6-N-bis[4-(4-aminoanilino)phenyl]naphthalene-2,6-dicarboxamide
SMILESNc1ccc(Nc2ccc(NC(=O)c3ccc4cc(C(=O)Nc5ccc(Nc6ccc(N)cc6)cc5)ccc4c3)cc2)cc1
InChIInChI=1S/C36H30N6O2/c37-27-5-9-29(10-6-27)39-31-13-17-33(18-14-31)41-35(43)25-3-1-23-21-26(4-2-24(23)22-25)36(44)42-34-19-15-32(16-20-34)40-30-11-7-28(38)8-12-30/h1-22,39-40H,37-38H2,(H,41,43)(H,42,44)
InChIKeyJAFAUPBTGCGEDH-UHFFFAOYSA-N
MW578.68 g/mol
LogP8.00
Rot. Bonds8

About 2-N,6-N-bis[4-(4-aminoanilino)phenyl]naphthalene-2,6-dicarboxamide

2-N,6-N-bis[4-(4-aminoanilino)phenyl]naphthalene-2,6-dicarboxamide (PubChem CID 141400871) has the molecular formula C36H30N6O2 and a molecular weight of 578.68 g/mol. Its IUPAC name is 2-N,6-N-bis[4-(4-aminoanilino)phenyl]naphthalene-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis[4-(4-aminoanilino)phenyl]naphthalene-2,6-dicarboxamide
PubChem CID141400871
Molecular FormulaC36H30N6O2
Molecular Weight578.68 g/mol
Exact Mass578.24
IUPAC Name2-N,6-N-bis[4-(4-aminoanilino)phenyl]naphthalene-2,6-dicarboxamide
SMILESNc1ccc(Nc2ccc(NC(=O)c3ccc4cc(C(=O)Nc5ccc(Nc6ccc(N)cc6)cc5)ccc4c3)cc2)cc1
InChIInChI=1S/C36H30N6O2/c37-27-5-9-29(10-6-27)39-31-13-17-33(18-14-31)41-35(43)25-3-1-23-21-26(4-2-24(23)22-25)36(44)42-34-19-15-32(16-20-34)40-30-11-7-28(38)8-12-30/h1-22,39-40H,37-38H2,(H,41,43)(H,42,44)
InChIKeyJAFAUPBTGCGEDH-UHFFFAOYSA-N
XLogP8.00
TPSA134.30 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500578.68
LogP ≤ 58.00
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
4-amino-N-[4-[4-[[4-(dimethylamino)benzoyl]amino]anilino]phenyl]benzamide
CID 129035701
N-(4-aminophenyl)-4-[(2,6-diaminopyrimidin-4-yl)amino]benzamide
CID 59457974
2-N-phenylnaphthalene-2,6-dicarboxamide
CID 57399617
4-amino-N-(4-aminophenyl)benzamide;ethanamine
CID 19078068
4-amino-N-[4-[3-amino-5-[4-[(4-aminobenzoyl)amino]phenyl]phenyl]phenyl]benzamide
CID 150367219
N-[4-(4-aminoanilino)phenyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 67112995
6-(phenylcarbamoyl)naphthalene-2-carboxylic acid
CID 57390877
4-amino-N-[4-[[4-[(4-aminobenzoyl)amino]phenyl]diazenyl]phenyl]benzamide
CID 134597340
3-N-(4-aminophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 158719298
N-(4-aminophenyl)-3-methoxybenzamide
CID 8566724
4-(aminomethyl)-N-(4-aminophenyl)benzamide
CID 90103909

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis[4-(4-aminoanilino)phenyl]naphthalene-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis[4-(4-aminoanilino)phenyl]naphthalene-2,6-dicarboxamide (CID 141400871) is 2-N,6-N-bis[4-(4-aminoanilino)phenyl]naphthalene-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis[4-(4-aminoanilino)phenyl]naphthalene-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis[4-(4-aminoanilino)phenyl]naphthalene-2,6-dicarboxamide is Nc1ccc(Nc2ccc(NC(=O)c3ccc4cc(C(=O)Nc5ccc(Nc6ccc(N)cc6)cc5)ccc4c3)cc2)cc1.
What is the InChIKey of 2-N,6-N-bis[4-(4-aminoanilino)phenyl]naphthalene-2,6-dicarboxamide?
The InChIKey is JAFAUPBTGCGEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30N6O2/c37-27-5-9-29(10-6-27)39-31-13-17-33(18-14-31)41-35(43)25-3-1-23-21-26(4-2-24(23)22-25)36(44)42-34-19-15-32(16-20-34)40-30-11-7-28(38)8-12-30/h1-22,39-40H,37-38H2,(H,41,43)(H,42,44).
What are the key properties of 2-N,6-N-bis[4-(4-aminoanilino)phenyl]naphthalene-2,6-dicarboxamide?
2-N,6-N-bis[4-(4-aminoanilino)phenyl]naphthalene-2,6-dicarboxamide has a molecular weight of 578.68 g/mol, XLogP of 8.00, 8 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis[4-(4-aminoanilino)phenyl]naphthalene-2,6-dicarboxamide is sourced from PubChem (CID 141400871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).