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

C60H50N8O8 — CID 177438647

IUPACN-[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
SMILESCCc1cc(NC(=O)c2cc3ccccc3c(/N=N/c3cccc(C(=O)Nc4ccccc4)c3OC)c2O)c(CC)cc1NC(=O)c1cc2ccccc2c(/N=N/c2cccc(C(=O)Nc3ccccc3)c2OC)c1O
InChIInChI=1S/C60H50N8O8/c1-5-35-33-50(64-60(74)46-32-38-20-14-16-26-42(38)52(54(46)70)68-66-48-30-18-28-44(56(48)76-4)58(72)62-40-23-11-8-12-24-40)36(6-2)34-49(35)63-59(73)45-31-37-19-13-15-25-41(37)51(53(45)69)67-65-47-29-17-27-43(55(47)75-3)57(71)61-39-21-9-7-10-22-39/h7-34,69-70H,5-6H2,1-4H3,(H,61,71)(H,62,72)(H,63,73)(H,64,74)/b67-65+,68-66+
InChIKeyFSCMPFQWGYTXQB-QHPKXGADSA-N
MW1011.11 g/mol
LogP14.39
Rot. Bonds16

About 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

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 (PubChem CID 177438647) has the molecular formula C60H50N8O8 and a molecular weight of 1011.11 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID177438647
Molecular FormulaC60H50N8O8
Molecular Weight1011.11 g/mol
Exact Mass1010.38
IUPAC NameN-[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
SMILESCCc1cc(NC(=O)c2cc3ccccc3c(/N=N/c3cccc(C(=O)Nc4ccccc4)c3OC)c2O)c(CC)cc1NC(=O)c1cc2ccccc2c(/N=N/c2cccc(C(=O)Nc3ccccc3)c2OC)c1O
InChIInChI=1S/C60H50N8O8/c1-5-35-33-50(64-60(74)46-32-38-20-14-16-26-42(38)52(54(46)70)68-66-48-30-18-28-44(56(48)76-4)58(72)62-40-23-11-8-12-24-40)36(6-2)34-49(35)63-59(73)45-31-37-19-13-15-25-41(37)51(53(45)69)67-65-47-29-17-27-43(55(47)75-3)57(71)61-39-21-9-7-10-22-39/h7-34,69-70H,5-6H2,1-4H3,(H,61,71)(H,62,72)(H,63,73)(H,64,74)/b67-65+,68-66+
InChIKeyFSCMPFQWGYTXQB-QHPKXGADSA-N
XLogP14.39
TPSA224.76 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms76
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001011.11
LogP ≤ 514.39
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'}

Analyze 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 with MolForge

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Related Compounds

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
ethyl 2-[[3-[[4-[[4-[(2-ethoxycarbonylphenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-2,5-dimethylphenyl]carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]benzoate
CID 136854850
4-[(9,10-dioxoanthracen-1-yl)diazenyl]-3-hydroxy-N-(4-methoxyphenyl)naphthalene-2-carboxamide
CID 136912096
2-chloro-5-ethyl-4-[[2-hydroxy-3-[(4-methoxyphenyl)carbamoyl]naphthalen-1-yl]diazenyl]benzenesulfonic acid
CID 136708119
2-chloro-4-ethyl-5-[[2-hydroxy-3-[(4-methoxyphenyl)carbamoyl]naphthalen-1-yl]diazenyl]benzenesulfonic acid
CID 136708113
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-[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
4-[(4-butyl-2-hydroxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 135991568
4-[(4-benzamido-2-methoxy-5-methylphenyl)diazenyl]-3-hydroxy-N-naphthalen-1-ylnaphthalene-2-carboxamide
CID 3019188
4-[(4-benzamido-3,5-dimethoxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 177440661
3-methoxy-N-phenyl-4-phenyldiazenylnaphthalene-2-carboxamide
CID 137389574
bis(4-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide);iron;methane
CID 161221882

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1cc(NC(=O)c2cc3ccccc3c(/N=N/c3cccc(C(=O)Nc4ccccc4)c3OC)c2O)c(CC)cc1NC(=O)c1cc2ccccc2c(/N=N/c2cccc(C(=O)Nc3ccccc3)c2OC)c1O.
What is the InChIKey of 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?
The InChIKey is FSCMPFQWGYTXQB-QHPKXGADSA-N. The full InChI is InChI=1S/C60H50N8O8/c1-5-35-33-50(64-60(74)46-32-38-20-14-16-26-42(38)52(54(46)70)68-66-48-30-18-28-44(56(48)76-4)58(72)62-40-23-11-8-12-24-40)36(6-2)34-49(35)63-59(73)45-31-37-19-13-15-25-41(37)51(53(45)69)67-65-47-29-17-27-43(55(47)75-3)57(71)61-39-21-9-7-10-22-39/h7-34,69-70H,5-6H2,1-4H3,(H,61,71)(H,62,72)(H,63,73)(H,64,74)/b67-65+,68-66+.
What are the key properties of 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?
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 has a molecular weight of 1011.11 g/mol, XLogP of 14.39, 16 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177438647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).