N-(3-chlorophenyl)-4-[[7-[[3-[(3-chlorophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxynaphthalene-2-carboxamide

C47H28Cl2N6O5 — CID 135584933

IUPACN-(3-chlorophenyl)-4-[[7-[[3-[(3-chlorophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxynaphthalene-2-carboxamide
SMILESO=C1c2cc(/N=N/c3c(O)c(C(=O)Nc4cccc(Cl)c4)cc4ccccc34)ccc2-c2ccc(/N=N/c3c(O)c(C(=O)Nc4cccc(Cl)c4)cc4ccccc34)cc21
InChIInChI=1S/C47H28Cl2N6O5/c48-27-9-5-11-29(21-27)50-46(59)39-19-25-7-1-3-13-33(25)41(44(39)57)54-52-31-15-17-35-36-18-16-32(24-38(36)43(56)37(35)23-31)53-55-42-34-14-4-2-8-26(34)20-40(45(42)58)47(60)51-30-12-6-10-28(49)22-30/h1-24,57-58H,(H,50,59)(H,51,60)/b54-52+,55-53+
InChIKeyJVOLOLHDNCDVDH-UTTFBYFCSA-N
MW827.68 g/mol
LogP13.26
Rot. Bonds8

About N-(3-chlorophenyl)-4-[[7-[[3-[(3-chlorophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxynaphthalene-2-carboxamide

N-(3-chlorophenyl)-4-[[7-[[3-[(3-chlorophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxynaphthalene-2-carboxamide (PubChem CID 135584933) has the molecular formula C47H28Cl2N6O5 and a molecular weight of 827.68 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-[[7-[[3-[(3-chlorophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-[[7-[[3-[(3-chlorophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxynaphthalene-2-carboxamide
PubChem CID135584933
Molecular FormulaC47H28Cl2N6O5
Molecular Weight827.68 g/mol
Exact Mass826.15
IUPAC NameN-(3-chlorophenyl)-4-[[7-[[3-[(3-chlorophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxynaphthalene-2-carboxamide
SMILESO=C1c2cc(/N=N/c3c(O)c(C(=O)Nc4cccc(Cl)c4)cc4ccccc34)ccc2-c2ccc(/N=N/c3c(O)c(C(=O)Nc4cccc(Cl)c4)cc4ccccc34)cc21
InChIInChI=1S/C47H28Cl2N6O5/c48-27-9-5-11-29(21-27)50-46(59)39-19-25-7-1-3-13-33(25)41(44(39)57)54-52-31-15-17-35-36-18-16-32(24-38(36)43(56)37(35)23-31)53-55-42-34-14-4-2-8-26(34)20-40(45(42)58)47(60)51-30-12-6-10-28(49)22-30/h1-24,57-58H,(H,50,59)(H,51,60)/b54-52+,55-53+
InChIKeyJVOLOLHDNCDVDH-UTTFBYFCSA-N
XLogP13.26
TPSA165.17 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.68
LogP ≤ 513.26
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

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
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
4-amino-N-(3-chlorophenyl)-3-hydroxynaphthalene-2-carboxamide
CID 145215535
bis(4-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide);iron;methane
CID 161221882
3-chloro-2-ethyl-5-[[2-hydroxy-3-[(3-methoxyphenyl)carbamoyl]naphthalen-1-yl]diazenyl]benzenesulfonic acid
CID 136708071
5-chloro-3-[[2-hydroxy-3-[(3-methoxyphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-2-methylbenzenesulfonic acid
CID 136707911
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
(3,5-dichlorophenyl) 5-[[3-[[4-[[4-[[3-(3,5-dichlorophenoxy)carbonyl-4-methylphenyl]diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-2-methylbenzoate
CID 136854742
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-[(9,10-dioxoanthracen-1-yl)diazenyl]-3-hydroxy-N-(4-methoxyphenyl)naphthalene-2-carboxamide
CID 136912096

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-[[7-[[3-[(3-chlorophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of 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) is N-(3-chlorophenyl)-4-[[7-[[3-[(3-chlorophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-[[7-[[3-[(3-chlorophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-[[7-[[3-[(3-chlorophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxynaphthalene-2-carboxamide is O=C1c2cc(/N=N/c3c(O)c(C(=O)Nc4cccc(Cl)c4)cc4ccccc34)ccc2-c2ccc(/N=N/c3c(O)c(C(=O)Nc4cccc(Cl)c4)cc4ccccc34)cc21.
What is the InChIKey of N-(3-chlorophenyl)-4-[[7-[[3-[(3-chlorophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is JVOLOLHDNCDVDH-UTTFBYFCSA-N. The full InChI is InChI=1S/C47H28Cl2N6O5/c48-27-9-5-11-29(21-27)50-46(59)39-19-25-7-1-3-13-33(25)41(44(39)57)54-52-31-15-17-35-36-18-16-32(24-38(36)43(56)37(35)23-31)53-55-42-34-14-4-2-8-26(34)20-40(45(42)58)47(60)51-30-12-6-10-28(49)22-30/h1-24,57-58H,(H,50,59)(H,51,60)/b54-52+,55-53+.
What are the key properties of N-(3-chlorophenyl)-4-[[7-[[3-[(3-chlorophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxynaphthalene-2-carboxamide?
N-(3-chlorophenyl)-4-[[7-[[3-[(3-chlorophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 827.68 g/mol, XLogP of 13.26, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-[[7-[[3-[(3-chlorophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 135584933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).