N-[3-chloro-4-[[3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carbonyl]amino]phenyl]-3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide

C56H41ClN8O8 — CID 177482631

IUPACN-[3-chloro-4-[[3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carbonyl]amino]phenyl]-3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide
SMILESCOc1c(/N=N/c2c(O)c(C(=O)Nc3ccc(NC(=O)c4cc5ccccc5c(/N=N/c5cccc(C(=O)Nc6ccccc6)c5OC)c4O)c(Cl)c3)cc3ccccc23)cccc1C(=O)Nc1ccccc1
InChIInChI=1S/C56H41ClN8O8/c1-72-51-39(53(68)58-34-17-5-3-6-18-34)23-13-25-45(51)62-64-47-37-21-11-9-15-32(37)29-41(49(47)66)55(70)60-36-27-28-44(43(57)31-36)61-56(71)42-30-33-16-10-12-22-38(33)48(50(42)67)65-63-46-26-14-24-40(52(46)73-2)54(69)59-35-19-7-4-8-20-35/h3-31,66-67H,1-2H3,(H,58,68)(H,59,69)(H,60,70)(H,61,71)/b64-62+,65-63+
InChIKeyWCJOEABKTJKTOH-OERYHQMPSA-N
MW989.44 g/mol
LogP13.91
Rot. Bonds14

About N-[3-chloro-4-[[3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carbonyl]amino]phenyl]-3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide

N-[3-chloro-4-[[3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carbonyl]amino]phenyl]-3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide (PubChem CID 177482631) has the molecular formula C56H41ClN8O8 and a molecular weight of 989.44 g/mol. Its IUPAC name is N-[3-chloro-4-[[3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carbonyl]amino]phenyl]-3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-[[3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carbonyl]amino]phenyl]-3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide
PubChem CID177482631
Molecular FormulaC56H41ClN8O8
Molecular Weight989.44 g/mol
Exact Mass988.27
IUPAC NameN-[3-chloro-4-[[3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carbonyl]amino]phenyl]-3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide
SMILESCOc1c(/N=N/c2c(O)c(C(=O)Nc3ccc(NC(=O)c4cc5ccccc5c(/N=N/c5cccc(C(=O)Nc6ccccc6)c5OC)c4O)c(Cl)c3)cc3ccccc23)cccc1C(=O)Nc1ccccc1
InChIInChI=1S/C56H41ClN8O8/c1-72-51-39(53(68)58-34-17-5-3-6-18-34)23-13-25-45(51)62-64-47-37-21-11-9-15-32(37)29-41(49(47)66)55(70)60-36-27-28-44(43(57)31-36)61-56(71)42-30-33-16-10-12-22-38(33)48(50(42)67)65-63-46-26-14-24-40(52(46)73-2)54(69)59-35-19-7-4-8-20-35/h3-31,66-67H,1-2H3,(H,58,68)(H,59,69)(H,60,70)(H,61,71)/b64-62+,65-63+
InChIKeyWCJOEABKTJKTOH-OERYHQMPSA-N
XLogP13.91
TPSA224.76 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms73
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500989.44
LogP ≤ 513.91
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-[2,5-diethyl-4-[[3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carbonyl]amino]phenyl]-3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide
CID 177438647
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
N-(4-acetamido-2-methylphenyl)-3-hydroxy-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide
CID 137119809
bis(4-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide);iron;methane
CID 161221882
(2,5-dichlorophenyl) 3-[[3-[[4-[[4-[[3-(2,5-dichlorophenoxy)carbonyl-2-methylphenyl]diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-2-methylbenzoate
CID 136854745
N-[3-chloro-4-(naphthalene-1-carbonylamino)phenyl]naphthalene-1-carboxamide
CID 2179861
4-[(9,10-dioxoanthracen-1-yl)diazenyl]-3-hydroxy-N-(4-methoxyphenyl)naphthalene-2-carboxamide
CID 136912096
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
2-chloro-4-[[2-hydroxy-3-[(4-methoxyphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-5-methylbenzenesulfonic acid
CID 136707939
3-hydroxy-N-[3-[3-[[3-hydroxy-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carbonyl]amino]phenoxy]phenyl]-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide
CID 163998747
3-chloro-4-[[3-[(2-chloro-4-methoxyphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-2-methylbenzenesulfonic acid
CID 136854950
2-chloro-5-[[2-hydroxy-3-[(3-methoxyphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-4-methylbenzenesulfonic acid
CID 136707873

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[[3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carbonyl]amino]phenyl]-3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-chloro-4-[[3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carbonyl]amino]phenyl]-3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide (CID 177482631) is N-[3-chloro-4-[[3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carbonyl]amino]phenyl]-3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-[[3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carbonyl]amino]phenyl]-3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-[[3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carbonyl]amino]phenyl]-3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide is COc1c(/N=N/c2c(O)c(C(=O)Nc3ccc(NC(=O)c4cc5ccccc5c(/N=N/c5cccc(C(=O)Nc6ccccc6)c5OC)c4O)c(Cl)c3)cc3ccccc23)cccc1C(=O)Nc1ccccc1.
What is the InChIKey of N-[3-chloro-4-[[3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carbonyl]amino]phenyl]-3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide?
The InChIKey is WCJOEABKTJKTOH-OERYHQMPSA-N. The full InChI is InChI=1S/C56H41ClN8O8/c1-72-51-39(53(68)58-34-17-5-3-6-18-34)23-13-25-45(51)62-64-47-37-21-11-9-15-32(37)29-41(49(47)66)55(70)60-36-27-28-44(43(57)31-36)61-56(71)42-30-33-16-10-12-22-38(33)48(50(42)67)65-63-46-26-14-24-40(52(46)73-2)54(69)59-35-19-7-4-8-20-35/h3-31,66-67H,1-2H3,(H,58,68)(H,59,69)(H,60,70)(H,61,71)/b64-62+,65-63+.
What are the key properties of N-[3-chloro-4-[[3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carbonyl]amino]phenyl]-3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide?
N-[3-chloro-4-[[3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carbonyl]amino]phenyl]-3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide has a molecular weight of 989.44 g/mol, XLogP of 13.91, 14 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[[3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carbonyl]amino]phenyl]-3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 177482631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).