2-[[3-hydroxy-4-[[4-[2-[4-[[2-hydroxy-3-(propylcarbamoyl)naphthalen-1-yl]diazenyl]phenyl]ethyl]phenyl]diazenyl]naphthalene-2-carbonyl]amino]ethyl-trimethylazanium

C44H46N7O4+ — CID 135738328

IUPAC2-[[3-hydroxy-4-[[4-[2-[4-[[2-hydroxy-3-(propylcarbamoyl)naphthalen-1-yl]diazenyl]phenyl]ethyl]phenyl]diazenyl]naphthalene-2-carbonyl]amino]ethyl-trimethylazanium
SMILESCCCNC(=O)c1cc2ccccc2c(/N=N/c2ccc(CCc3ccc(/N=N/c4c(O)c(C(=O)NCC[N+](C)(C)C)cc5ccccc45)cc3)cc2)c1O
InChIInChI=1S/C44H45N7O4/c1-5-24-45-43(54)37-27-31-10-6-8-12-35(31)39(41(37)52)49-47-33-20-16-29(17-21-33)14-15-30-18-22-34(23-19-30)48-50-40-36-13-9-7-11-32(36)28-38(42(40)53)44(55)46-25-26-51(2,3)4/h6-13,16-23,27-28H,5,14-15,24-26H2,1-4H3,(H3-,45,46,47,48,52,53,54,55)/p+1
InChIKeyHPYARDBVCPAFHT-UHFFFAOYSA-O
MW736.90 g/mol
LogP9.60
Rot. Bonds14

About 2-[[3-hydroxy-4-[[4-[2-[4-[[2-hydroxy-3-(propylcarbamoyl)naphthalen-1-yl]diazenyl]phenyl]ethyl]phenyl]diazenyl]naphthalene-2-carbonyl]amino]ethyl-trimethylazanium

2-[[3-hydroxy-4-[[4-[2-[4-[[2-hydroxy-3-(propylcarbamoyl)naphthalen-1-yl]diazenyl]phenyl]ethyl]phenyl]diazenyl]naphthalene-2-carbonyl]amino]ethyl-trimethylazanium (PubChem CID 135738328) has the molecular formula C44H46N7O4+ and a molecular weight of 736.90 g/mol. Its IUPAC name is 2-[[3-hydroxy-4-[[4-[2-[4-[[2-hydroxy-3-(propylcarbamoyl)naphthalen-1-yl]diazenyl]phenyl]ethyl]phenyl]diazenyl]naphthalene-2-carbonyl]amino]ethyl-trimethylazanium.

Molecular Properties

Compound Name2-[[3-hydroxy-4-[[4-[2-[4-[[2-hydroxy-3-(propylcarbamoyl)naphthalen-1-yl]diazenyl]phenyl]ethyl]phenyl]diazenyl]naphthalene-2-carbonyl]amino]ethyl-trimethylazanium
PubChem CID135738328
Molecular FormulaC44H46N7O4+
Molecular Weight736.90 g/mol
Exact Mass736.36
IUPAC Name2-[[3-hydroxy-4-[[4-[2-[4-[[2-hydroxy-3-(propylcarbamoyl)naphthalen-1-yl]diazenyl]phenyl]ethyl]phenyl]diazenyl]naphthalene-2-carbonyl]amino]ethyl-trimethylazanium
SMILESCCCNC(=O)c1cc2ccccc2c(/N=N/c2ccc(CCc3ccc(/N=N/c4c(O)c(C(=O)NCC[N+](C)(C)C)cc5ccccc45)cc3)cc2)c1O
InChIInChI=1S/C44H45N7O4/c1-5-24-45-43(54)37-27-31-10-6-8-12-35(31)39(41(37)52)49-47-33-20-16-29(17-21-33)14-15-30-18-22-34(23-19-30)48-50-40-36-13-9-7-11-32(36)28-38(42(40)53)44(55)46-25-26-51(2,3)4/h6-13,16-23,27-28H,5,14-15,24-26H2,1-4H3,(H3-,45,46,47,48,52,53,54,55)/p+1
InChIKeyHPYARDBVCPAFHT-UHFFFAOYSA-O
XLogP9.60
TPSA148.10 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.90
LogP ≤ 59.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

4-[[4-[2-[4-[[2-hydroxy-3-[3-(methylamino)propylcarbamoyl]naphthalen-1-yl]diazenyl]phenyl]ethyl]phenyl]diazenyl]-3-methyl-N-[3-(methylamino)propyl]naphthalene-2-carboxamide
CID 142124211
4-[(4-butyl-2-hydroxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 135991568
N-(4-ethoxyphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide
CID 155007361
3-hydroxy-N-propylnaphthalene-1-carboxamide
CID 139771851
N-(2,4-dimethylphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide
CID 3798515
4-[[4-(3-aminopentan-3-yl)phenyl]diazenyl]-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide
CID 136620067
4-[(4-carbamoylphenyl)diazenyl]-N-(2-ethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
CID 17740
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
methyl 3-[[3-[[2,3-diethyl-4-[[3-hydroxy-4-[(3-methoxycarbonylphenyl)diazenyl]naphthalene-2-carbonyl]amino]phenyl]carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]benzoate
CID 136854839
4-[(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)diazenyl]phthalic acid
CID 135783962
4-[[3-(butylcarbamoyl)-2-hydroxynaphthalen-1-yl]methyl]-3-hydroxynaphthalene-2-carboxylic acid
CID 102510581
2-(anthracene-9-carbonylamino)ethyl-triethylazanium
CID 118566323

Frequently Asked Questions

What is the IUPAC name of 2-[[3-hydroxy-4-[[4-[2-[4-[[2-hydroxy-3-(propylcarbamoyl)naphthalen-1-yl]diazenyl]phenyl]ethyl]phenyl]diazenyl]naphthalene-2-carbonyl]amino]ethyl-trimethylazanium?
The IUPAC name of 2-[[3-hydroxy-4-[[4-[2-[4-[[2-hydroxy-3-(propylcarbamoyl)naphthalen-1-yl]diazenyl]phenyl]ethyl]phenyl]diazenyl]naphthalene-2-carbonyl]amino]ethyl-trimethylazanium (CID 135738328) is 2-[[3-hydroxy-4-[[4-[2-[4-[[2-hydroxy-3-(propylcarbamoyl)naphthalen-1-yl]diazenyl]phenyl]ethyl]phenyl]diazenyl]naphthalene-2-carbonyl]amino]ethyl-trimethylazanium.
What is the SMILES notation for 2-[[3-hydroxy-4-[[4-[2-[4-[[2-hydroxy-3-(propylcarbamoyl)naphthalen-1-yl]diazenyl]phenyl]ethyl]phenyl]diazenyl]naphthalene-2-carbonyl]amino]ethyl-trimethylazanium?
The canonical SMILES for 2-[[3-hydroxy-4-[[4-[2-[4-[[2-hydroxy-3-(propylcarbamoyl)naphthalen-1-yl]diazenyl]phenyl]ethyl]phenyl]diazenyl]naphthalene-2-carbonyl]amino]ethyl-trimethylazanium is CCCNC(=O)c1cc2ccccc2c(/N=N/c2ccc(CCc3ccc(/N=N/c4c(O)c(C(=O)NCC[N+](C)(C)C)cc5ccccc45)cc3)cc2)c1O.
What is the InChIKey of 2-[[3-hydroxy-4-[[4-[2-[4-[[2-hydroxy-3-(propylcarbamoyl)naphthalen-1-yl]diazenyl]phenyl]ethyl]phenyl]diazenyl]naphthalene-2-carbonyl]amino]ethyl-trimethylazanium?
The InChIKey is HPYARDBVCPAFHT-UHFFFAOYSA-O. The full InChI is InChI=1S/C44H45N7O4/c1-5-24-45-43(54)37-27-31-10-6-8-12-35(31)39(41(37)52)49-47-33-20-16-29(17-21-33)14-15-30-18-22-34(23-19-30)48-50-40-36-13-9-7-11-32(36)28-38(42(40)53)44(55)46-25-26-51(2,3)4/h6-13,16-23,27-28H,5,14-15,24-26H2,1-4H3,(H3-,45,46,47,48,52,53,54,55)/p+1.
What are the key properties of 2-[[3-hydroxy-4-[[4-[2-[4-[[2-hydroxy-3-(propylcarbamoyl)naphthalen-1-yl]diazenyl]phenyl]ethyl]phenyl]diazenyl]naphthalene-2-carbonyl]amino]ethyl-trimethylazanium?
2-[[3-hydroxy-4-[[4-[2-[4-[[2-hydroxy-3-(propylcarbamoyl)naphthalen-1-yl]diazenyl]phenyl]ethyl]phenyl]diazenyl]naphthalene-2-carbonyl]amino]ethyl-trimethylazanium has a molecular weight of 736.90 g/mol, XLogP of 9.60, 14 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-hydroxy-4-[[4-[2-[4-[[2-hydroxy-3-(propylcarbamoyl)naphthalen-1-yl]diazenyl]phenyl]ethyl]phenyl]diazenyl]naphthalene-2-carbonyl]amino]ethyl-trimethylazanium is sourced from PubChem (CID 135738328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).