4-hydroxy-N-[4-[[4-hydroxy-3-[(1-hydroxynaphthalen-2-yl)diazenyl]benzoyl]amino]phenyl]-3-[(1-hydroxynaphthalen-2-yl)diazenyl]benzamide

C40H28N6O6 — CID 135999228

IUPAC4-hydroxy-N-[4-[[4-hydroxy-3-[(1-hydroxynaphthalen-2-yl)diazenyl]benzoyl]amino]phenyl]-3-[(1-hydroxynaphthalen-2-yl)diazenyl]benzamide
SMILESO=C(Nc1ccc(NC(=O)c2ccc(O)c(/N=N/c3ccc4ccccc4c3O)c2)cc1)c1ccc(O)c(/N=N/c2ccc3ccccc3c2O)c1
InChIInChI=1S/C40H28N6O6/c47-35-19-11-25(21-33(35)45-43-31-17-9-23-5-1-3-7-29(23)37(31)49)39(51)41-27-13-15-28(16-14-27)42-40(52)26-12-20-36(48)34(22-26)46-44-32-18-10-24-6-2-4-8-30(24)38(32)50/h1-22,47-50H,(H,41,51)(H,42,52)/b45-43+,46-44+
InChIKeyHRIOEQMLMKSHLN-MWOVFPFUSA-N
MW688.70 g/mol
LogP10.15
Rot. Bonds8

About 4-hydroxy-N-[4-[[4-hydroxy-3-[(1-hydroxynaphthalen-2-yl)diazenyl]benzoyl]amino]phenyl]-3-[(1-hydroxynaphthalen-2-yl)diazenyl]benzamide

4-hydroxy-N-[4-[[4-hydroxy-3-[(1-hydroxynaphthalen-2-yl)diazenyl]benzoyl]amino]phenyl]-3-[(1-hydroxynaphthalen-2-yl)diazenyl]benzamide (PubChem CID 135999228) has the molecular formula C40H28N6O6 and a molecular weight of 688.70 g/mol. Its IUPAC name is 4-hydroxy-N-[4-[[4-hydroxy-3-[(1-hydroxynaphthalen-2-yl)diazenyl]benzoyl]amino]phenyl]-3-[(1-hydroxynaphthalen-2-yl)diazenyl]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[4-[[4-hydroxy-3-[(1-hydroxynaphthalen-2-yl)diazenyl]benzoyl]amino]phenyl]-3-[(1-hydroxynaphthalen-2-yl)diazenyl]benzamide
PubChem CID135999228
Molecular FormulaC40H28N6O6
Molecular Weight688.70 g/mol
Exact Mass688.21
IUPAC Name4-hydroxy-N-[4-[[4-hydroxy-3-[(1-hydroxynaphthalen-2-yl)diazenyl]benzoyl]amino]phenyl]-3-[(1-hydroxynaphthalen-2-yl)diazenyl]benzamide
SMILESO=C(Nc1ccc(NC(=O)c2ccc(O)c(/N=N/c3ccc4ccccc4c3O)c2)cc1)c1ccc(O)c(/N=N/c2ccc3ccccc3c2O)c1
InChIInChI=1S/C40H28N6O6/c47-35-19-11-25(21-33(35)45-43-31-17-9-23-5-1-3-7-29(23)37(31)49)39(51)41-27-13-15-28(16-14-27)42-40(52)26-12-20-36(48)34(22-26)46-44-32-18-10-24-6-2-4-8-30(24)38(32)50/h1-22,47-50H,(H,41,51)(H,42,52)/b45-43+,46-44+
InChIKeyHRIOEQMLMKSHLN-MWOVFPFUSA-N
XLogP10.15
TPSA188.56 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500688.70
LogP ≤ 510.15
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-[(2-hydroxyphenyl)diazenyl]naphthalen-1-ol
CID 135744709
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]benzamide
CID 3850135
2-hydroxy-5-(naphthalene-2-carbonylamino)benzoic acid;4-(naphthalene-1-carbonylamino)benzoic acid
CID 160883730
bis(4-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide);iron;methane
CID 161221882
N-(4-bromophenyl)-2-hydroxynaphthalene-1-carboxamide
CID 86575073
3-hydroxy-4-[(1-hydroxynaphthalen-2-yl)diazenyl]naphthalene-1-sulfonate
CID 5101510
2-[(4-bromophenyl)diazenyl]naphthalen-1-ol
CID 3802677
2-[(3-chloro-2-hydroxyphenyl)diazenyl]naphthalen-1-ol
CID 135740067
4-acetamido-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 966653
N-(4-formylphenyl)naphthalene-2-carboxamide
CID 87842384
copper 3-carboxy-1-[[2-oxido-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalen-2-olate
CID 170853804

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[4-[[4-hydroxy-3-[(1-hydroxynaphthalen-2-yl)diazenyl]benzoyl]amino]phenyl]-3-[(1-hydroxynaphthalen-2-yl)diazenyl]benzamide?
The IUPAC name of 4-hydroxy-N-[4-[[4-hydroxy-3-[(1-hydroxynaphthalen-2-yl)diazenyl]benzoyl]amino]phenyl]-3-[(1-hydroxynaphthalen-2-yl)diazenyl]benzamide (CID 135999228) is 4-hydroxy-N-[4-[[4-hydroxy-3-[(1-hydroxynaphthalen-2-yl)diazenyl]benzoyl]amino]phenyl]-3-[(1-hydroxynaphthalen-2-yl)diazenyl]benzamide.
What is the SMILES notation for 4-hydroxy-N-[4-[[4-hydroxy-3-[(1-hydroxynaphthalen-2-yl)diazenyl]benzoyl]amino]phenyl]-3-[(1-hydroxynaphthalen-2-yl)diazenyl]benzamide?
The canonical SMILES for 4-hydroxy-N-[4-[[4-hydroxy-3-[(1-hydroxynaphthalen-2-yl)diazenyl]benzoyl]amino]phenyl]-3-[(1-hydroxynaphthalen-2-yl)diazenyl]benzamide is O=C(Nc1ccc(NC(=O)c2ccc(O)c(/N=N/c3ccc4ccccc4c3O)c2)cc1)c1ccc(O)c(/N=N/c2ccc3ccccc3c2O)c1.
What is the InChIKey of 4-hydroxy-N-[4-[[4-hydroxy-3-[(1-hydroxynaphthalen-2-yl)diazenyl]benzoyl]amino]phenyl]-3-[(1-hydroxynaphthalen-2-yl)diazenyl]benzamide?
The InChIKey is HRIOEQMLMKSHLN-MWOVFPFUSA-N. The full InChI is InChI=1S/C40H28N6O6/c47-35-19-11-25(21-33(35)45-43-31-17-9-23-5-1-3-7-29(23)37(31)49)39(51)41-27-13-15-28(16-14-27)42-40(52)26-12-20-36(48)34(22-26)46-44-32-18-10-24-6-2-4-8-30(24)38(32)50/h1-22,47-50H,(H,41,51)(H,42,52)/b45-43+,46-44+.
What are the key properties of 4-hydroxy-N-[4-[[4-hydroxy-3-[(1-hydroxynaphthalen-2-yl)diazenyl]benzoyl]amino]phenyl]-3-[(1-hydroxynaphthalen-2-yl)diazenyl]benzamide?
4-hydroxy-N-[4-[[4-hydroxy-3-[(1-hydroxynaphthalen-2-yl)diazenyl]benzoyl]amino]phenyl]-3-[(1-hydroxynaphthalen-2-yl)diazenyl]benzamide has a molecular weight of 688.70 g/mol, XLogP of 10.15, 8 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[4-[[4-hydroxy-3-[(1-hydroxynaphthalen-2-yl)diazenyl]benzoyl]amino]phenyl]-3-[(1-hydroxynaphthalen-2-yl)diazenyl]benzamide is sourced from PubChem (CID 135999228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).