4-[[7-[[3-[(3-formylphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide

C48H30N6O6 — CID 135731638

IUPAC4-[[7-[[3-[(3-formylphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
SMILESO=Cc1cccc(NC(=O)c2cc3ccccc3c(/N=N/c3ccc4c(c3)C(=O)c3cc(/N=N/c5c(O)c(C(=O)Nc6ccccc6)cc6ccccc56)ccc3-4)c2O)c1
InChIInChI=1S/C48H30N6O6/c55-26-27-9-8-14-31(21-27)50-48(60)41-23-29-11-5-7-16-35(29)43(46(41)58)54-52-33-18-20-37-36-19-17-32(24-38(36)44(56)39(37)25-33)51-53-42-34-15-6-4-10-28(34)22-40(45(42)57)47(59)49-30-12-2-1-3-13-30/h1-26,57-58H,(H,49,59)(H,50,60)/b53-51+,54-52+
InChIKeyRMWWRQBSUYPNLM-NQOGYPPHSA-N
MW786.80 g/mol
LogP11.76
Rot. Bonds9

About 4-[[7-[[3-[(3-formylphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide

4-[[7-[[3-[(3-formylphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide (PubChem CID 135731638) has the molecular formula C48H30N6O6 and a molecular weight of 786.80 g/mol. Its IUPAC name is 4-[[7-[[3-[(3-formylphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name4-[[7-[[3-[(3-formylphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
PubChem CID135731638
Molecular FormulaC48H30N6O6
Molecular Weight786.80 g/mol
Exact Mass786.22
IUPAC Name4-[[7-[[3-[(3-formylphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
SMILESO=Cc1cccc(NC(=O)c2cc3ccccc3c(/N=N/c3ccc4c(c3)C(=O)c3cc(/N=N/c5c(O)c(C(=O)Nc6ccccc6)cc6ccccc56)ccc3-4)c2O)c1
InChIInChI=1S/C48H30N6O6/c55-26-27-9-8-14-31(21-27)50-48(60)41-23-29-11-5-7-16-35(29)43(46(41)58)54-52-33-18-20-37-36-19-17-32(24-38(36)44(56)39(37)25-33)51-53-42-34-15-6-4-10-28(34)22-40(45(42)57)47(59)49-30-12-2-1-3-13-30/h1-26,57-58H,(H,49,59)(H,50,60)/b53-51+,54-52+
InChIKeyRMWWRQBSUYPNLM-NQOGYPPHSA-N
XLogP11.76
TPSA182.24 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.80
LogP ≤ 511.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-4-[[7-[[2-hydroxy-3-[(3-methylphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-phenylnaphthalene-2-carboxamide
CID 135731626
N-(3-chlorophenyl)-4-[[7-[[3-[(3-chlorophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxynaphthalene-2-carboxamide
CID 135584933
4-[[7-[[3-[(2-chlorophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide
CID 135731631
3-hydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-phenyldiazenylnaphthalene-2-carboxamide;methane
CID 162195447
4-[(4-benzamido-3,5-dimethoxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 177440661
4-[(9,10-dioxoanthracen-1-yl)diazenyl]-3-hydroxy-N-(4-methoxyphenyl)naphthalene-2-carboxamide
CID 136912096
4-[[7-[[3-[(2-chloroanilino)oxymethyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxy-N-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]naphthalene-2-carboxamide
CID 20676679
bis(4-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide);iron;methane
CID 161221882
N-(4-ethoxyphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide
CID 155007361
3-methoxy-N-phenyl-4-phenyldiazenylnaphthalene-2-carboxamide
CID 137389574
4-[(2-chloro-3-methylphenyl)diazenyl]-N-[4-[[4-[(2-chloro-3-methylphenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]-3-hydroxynaphthalene-2-carboxamide
CID 136854780
4-[[4-[(4-aminophenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-N-hydroxybenzeneamine oxide
CID 136599111

Frequently Asked Questions

What is the IUPAC name of 4-[[7-[[3-[(3-formylphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide?
The IUPAC name of 4-[[7-[[3-[(3-formylphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide (CID 135731638) is 4-[[7-[[3-[(3-formylphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide.
What is the SMILES notation for 4-[[7-[[3-[(3-formylphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide?
The canonical SMILES for 4-[[7-[[3-[(3-formylphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide is O=Cc1cccc(NC(=O)c2cc3ccccc3c(/N=N/c3ccc4c(c3)C(=O)c3cc(/N=N/c5c(O)c(C(=O)Nc6ccccc6)cc6ccccc56)ccc3-4)c2O)c1.
What is the InChIKey of 4-[[7-[[3-[(3-formylphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide?
The InChIKey is RMWWRQBSUYPNLM-NQOGYPPHSA-N. The full InChI is InChI=1S/C48H30N6O6/c55-26-27-9-8-14-31(21-27)50-48(60)41-23-29-11-5-7-16-35(29)43(46(41)58)54-52-33-18-20-37-36-19-17-32(24-38(36)44(56)39(37)25-33)51-53-42-34-15-6-4-10-28(34)22-40(45(42)57)47(59)49-30-12-2-1-3-13-30/h1-26,57-58H,(H,49,59)(H,50,60)/b53-51+,54-52+.
What are the key properties of 4-[[7-[[3-[(3-formylphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide?
4-[[7-[[3-[(3-formylphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide has a molecular weight of 786.80 g/mol, XLogP of 11.76, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-[[3-[(3-formylphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide is sourced from PubChem (CID 135731638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).