N-[(2-chlorophenyl)carbamoyl]-4-[[4-[[4-[[3-[(2-chlorophenyl)carbamoylcarbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-3-hydroxynaphthalene-2-carboxamide

C48H32Cl2N10O6 — CID 136629268

IUPACN-[(2-chlorophenyl)carbamoyl]-4-[[4-[[4-[[3-[(2-chlorophenyl)carbamoylcarbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-3-hydroxynaphthalene-2-carboxamide
SMILESO=C(NC(=O)c1cc2ccccc2c(/N=N/c2ccc(/N=N/c3ccc(/N=N/c4c(O)c(C(=O)NC(=O)Nc5ccccc5Cl)cc5ccccc45)cc3)cc2)c1O)Nc1ccccc1Cl
InChIInChI=1S/C48H32Cl2N10O6/c49-37-13-5-7-15-39(37)51-47(65)53-45(63)35-25-27-9-1-3-11-33(27)41(43(35)61)59-57-31-21-17-29(18-22-31)55-56-30-19-23-32(24-20-30)58-60-42-34-12-4-2-10-28(34)26-36(44(42)62)46(64)54-48(66)52-40-16-8-6-14-38(40)50/h1-26,61-62H,(H2,51,53,63,65)(H2,52,54,64,66)/b56-55+,59-57+,60-58+
InChIKeyVUDZEWXJLBEBEV-ALULNDJASA-N
MW915.75 g/mol
LogP13.88
Rot. Bonds10

About N-[(2-chlorophenyl)carbamoyl]-4-[[4-[[4-[[3-[(2-chlorophenyl)carbamoylcarbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-3-hydroxynaphthalene-2-carboxamide

N-[(2-chlorophenyl)carbamoyl]-4-[[4-[[4-[[3-[(2-chlorophenyl)carbamoylcarbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-3-hydroxynaphthalene-2-carboxamide (PubChem CID 136629268) has the molecular formula C48H32Cl2N10O6 and a molecular weight of 915.75 g/mol. Its IUPAC name is N-[(2-chlorophenyl)carbamoyl]-4-[[4-[[4-[[3-[(2-chlorophenyl)carbamoylcarbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)carbamoyl]-4-[[4-[[4-[[3-[(2-chlorophenyl)carbamoylcarbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-3-hydroxynaphthalene-2-carboxamide
PubChem CID136629268
Molecular FormulaC48H32Cl2N10O6
Molecular Weight915.75 g/mol
Exact Mass914.19
IUPAC NameN-[(2-chlorophenyl)carbamoyl]-4-[[4-[[4-[[3-[(2-chlorophenyl)carbamoylcarbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-3-hydroxynaphthalene-2-carboxamide
SMILESO=C(NC(=O)c1cc2ccccc2c(/N=N/c2ccc(/N=N/c3ccc(/N=N/c4c(O)c(C(=O)NC(=O)Nc5ccccc5Cl)cc5ccccc45)cc3)cc2)c1O)Nc1ccccc1Cl
InChIInChI=1S/C48H32Cl2N10O6/c49-37-13-5-7-15-39(37)51-47(65)53-45(63)35-25-27-9-1-3-11-33(27)41(43(35)61)59-57-31-21-17-29(18-22-31)55-56-30-19-23-32(24-20-30)58-60-42-34-12-4-2-10-28(34)26-36(44(42)62)46(64)54-48(66)52-40-16-8-6-14-38(40)50/h1-26,61-62H,(H2,51,53,63,65)(H2,52,54,64,66)/b56-55+,59-57+,60-58+
InChIKeyVUDZEWXJLBEBEV-ALULNDJASA-N
XLogP13.88
TPSA231.02 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500915.75
LogP ≤ 513.88
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

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-(2-chlorophenyl)-3-hydroxy-4-(methyldiazenyl)naphthalene-2-carboxamide
CID 135731643
[4-[[3-[[C-(2-chloroanilino)oxycarbonimidoyl]oxymethyl]-2-hydroxynaphthalen-1-yl]diazenyl]phenyl]-[4-[[3-[(2-chlorophenyl)carbamoylcarbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]phenyl]imino-oxidoazanium
CID 20661334
N-(2-chlorophenyl)-4-diazenyl-3-hydroxynaphthalene-2-carboxamide
CID 135970928
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-carbamoylphenyl)diazenyl]-N-(2-ethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
CID 17740
4-[[4-(3-aminopentan-3-yl)phenyl]diazenyl]-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide
CID 136620067
2-chloro-4-[[3-[(3-chloro-2-ethoxyphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-6-methylbenzenesulfonic acid
CID 136855337
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
3-chloro-5-[[3-[(2-chloro-5-methoxyphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-2-methylbenzenesulfonic acid
CID 136854981
4-[(2-chloro-6-methylphenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid
CID 3018314
N-(4-ethoxyphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide
CID 155007361

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)carbamoyl]-4-[[4-[[4-[[3-[(2-chlorophenyl)carbamoylcarbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)carbamoyl]-4-[[4-[[4-[[3-[(2-chlorophenyl)carbamoylcarbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-3-hydroxynaphthalene-2-carboxamide (CID 136629268) is N-[(2-chlorophenyl)carbamoyl]-4-[[4-[[4-[[3-[(2-chlorophenyl)carbamoylcarbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)carbamoyl]-4-[[4-[[4-[[3-[(2-chlorophenyl)carbamoylcarbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)carbamoyl]-4-[[4-[[4-[[3-[(2-chlorophenyl)carbamoylcarbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-3-hydroxynaphthalene-2-carboxamide is O=C(NC(=O)c1cc2ccccc2c(/N=N/c2ccc(/N=N/c3ccc(/N=N/c4c(O)c(C(=O)NC(=O)Nc5ccccc5Cl)cc5ccccc45)cc3)cc2)c1O)Nc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)carbamoyl]-4-[[4-[[4-[[3-[(2-chlorophenyl)carbamoylcarbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is VUDZEWXJLBEBEV-ALULNDJASA-N. The full InChI is InChI=1S/C48H32Cl2N10O6/c49-37-13-5-7-15-39(37)51-47(65)53-45(63)35-25-27-9-1-3-11-33(27)41(43(35)61)59-57-31-21-17-29(18-22-31)55-56-30-19-23-32(24-20-30)58-60-42-34-12-4-2-10-28(34)26-36(44(42)62)46(64)54-48(66)52-40-16-8-6-14-38(40)50/h1-26,61-62H,(H2,51,53,63,65)(H2,52,54,64,66)/b56-55+,59-57+,60-58+.
What are the key properties of N-[(2-chlorophenyl)carbamoyl]-4-[[4-[[4-[[3-[(2-chlorophenyl)carbamoylcarbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-3-hydroxynaphthalene-2-carboxamide?
N-[(2-chlorophenyl)carbamoyl]-4-[[4-[[4-[[3-[(2-chlorophenyl)carbamoylcarbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 915.75 g/mol, XLogP of 13.88, 10 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)carbamoyl]-4-[[4-[[4-[[3-[(2-chlorophenyl)carbamoylcarbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 136629268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).