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

C48H32N6O5 — CID 135731626

IUPAC3-hydroxy-4-[[7-[[2-hydroxy-3-[(3-methylphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-phenylnaphthalene-2-carboxamide
SMILESCc1cccc(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/C48H32N6O5/c1-27-10-9-15-31(22-27)50-48(59)41-24-29-12-6-8-17-35(29)43(46(41)57)54-52-33-19-21-37-36-20-18-32(25-38(36)44(55)39(37)26-33)51-53-42-34-16-7-5-11-28(34)23-40(45(42)56)47(58)49-30-13-3-2-4-14-30/h2-26,56-57H,1H3,(H,49,58)(H,50,59)/b53-51+,54-52+
InChIKeyJDTHYVJAXAQUBG-NQOGYPPHSA-N
MW772.82 g/mol
LogP12.26
Rot. Bonds8

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

3-hydroxy-4-[[7-[[2-hydroxy-3-[(3-methylphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-phenylnaphthalene-2-carboxamide (PubChem CID 135731626) has the molecular formula C48H32N6O5 and a molecular weight of 772.82 g/mol. Its IUPAC name is 3-hydroxy-4-[[7-[[2-hydroxy-3-[(3-methylphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-phenylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-4-[[7-[[2-hydroxy-3-[(3-methylphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-phenylnaphthalene-2-carboxamide
PubChem CID135731626
Molecular FormulaC48H32N6O5
Molecular Weight772.82 g/mol
Exact Mass772.24
IUPAC Name3-hydroxy-4-[[7-[[2-hydroxy-3-[(3-methylphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-phenylnaphthalene-2-carboxamide
SMILESCc1cccc(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/C48H32N6O5/c1-27-10-9-15-31(22-27)50-48(59)41-24-29-12-6-8-17-35(29)43(46(41)57)54-52-33-19-21-37-36-20-18-32(25-38(36)44(55)39(37)26-33)51-53-42-34-16-7-5-11-28(34)23-40(45(42)56)47(58)49-30-13-3-2-4-14-30/h2-26,56-57H,1H3,(H,49,58)(H,50,59)/b53-51+,54-52+
InChIKeyJDTHYVJAXAQUBG-NQOGYPPHSA-N
XLogP12.26
TPSA165.17 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.82
LogP ≤ 512.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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

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-[(3-formylphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 135731638
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
N-(2,4-dimethylphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide
CID 3798515
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
N-(4-ethoxyphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide
CID 155007361
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
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
3-hydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-phenyldiazenylnaphthalene-2-carboxamide;methane
CID 162195447
methyl 3-[[2-hydroxy-3-[[4-[[3-hydroxy-4-[(3-methoxycarbonylphenyl)diazenyl]naphthalene-2-carbonyl]amino]-3,5-dimethylphenyl]carbamoyl]naphthalen-1-yl]diazenyl]benzoate
CID 136854836
4-[[4-[(3-chloro-2-methylphenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-N-[4-[[4-[(3-chloro-2-methylphenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]benzenecarboximidic acid
CID 136849552

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-[[7-[[2-hydroxy-3-[(3-methylphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-phenylnaphthalene-2-carboxamide?
The IUPAC name of 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) is 3-hydroxy-4-[[7-[[2-hydroxy-3-[(3-methylphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-phenylnaphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-4-[[7-[[2-hydroxy-3-[(3-methylphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-phenylnaphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-4-[[7-[[2-hydroxy-3-[(3-methylphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-phenylnaphthalene-2-carboxamide is 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 3-hydroxy-4-[[7-[[2-hydroxy-3-[(3-methylphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-phenylnaphthalene-2-carboxamide?
The InChIKey is JDTHYVJAXAQUBG-NQOGYPPHSA-N. The full InChI is InChI=1S/C48H32N6O5/c1-27-10-9-15-31(22-27)50-48(59)41-24-29-12-6-8-17-35(29)43(46(41)57)54-52-33-19-21-37-36-20-18-32(25-38(36)44(55)39(37)26-33)51-53-42-34-16-7-5-11-28(34)23-40(45(42)56)47(58)49-30-13-3-2-4-14-30/h2-26,56-57H,1H3,(H,49,58)(H,50,59)/b53-51+,54-52+.
What are the key properties of 3-hydroxy-4-[[7-[[2-hydroxy-3-[(3-methylphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-phenylnaphthalene-2-carboxamide?
3-hydroxy-4-[[7-[[2-hydroxy-3-[(3-methylphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-phenylnaphthalene-2-carboxamide has a molecular weight of 772.82 g/mol, XLogP of 12.26, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-[[7-[[2-hydroxy-3-[(3-methylphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-phenylnaphthalene-2-carboxamide is sourced from PubChem (CID 135731626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).