N-[4-[6-[6-(4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]-4-[3-[[3-[4-[[4-[6-[6-(4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]phenyl]diazenyl]phenyl]benzamide

C72H52N8O4 — CID 177480631

IUPACN-[4-[6-[6-(4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]-4-[3-[[3-[4-[[4-[6-[6-(4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]phenyl]diazenyl]phenyl]benzamide
SMILESCOc1ccc(-c2cccc(-c3cccc(-c4ccc(NC(=O)c5ccc(-c6cccc(/N=N/c7cccc(-c8ccc(C(=O)Nc9ccc(-c%10cccc(-c%11cccc(-c%12ccc(OC)cc%12)n%11)n%10)cc9)cc8)c7)c6)cc5)cc4)n3)n2)cc1
InChIInChI=1S/C72H52N8O4/c1-83-61-41-33-51(34-42-61)65-15-7-19-69(77-65)67-17-5-13-63(75-67)49-29-37-57(38-30-49)73-71(81)53-25-21-47(22-26-53)55-9-3-11-59(45-55)79-80-60-12-4-10-56(46-60)48-23-27-54(28-24-48)72(82)74-58-39-31-50(32-40-58)64-14-6-18-68(76-64)70-20-8-16-66(78-70)52-35-43-62(84-2)44-36-52/h3-46H,1-2H3,(H,73,81)(H,74,82)/b80-79+
InChIKeyQPDYUXXOGXTBLL-SJLBKQRESA-N
MW1093.26 g/mol
LogP17.54
Rot. Bonds16

About N-[4-[6-[6-(4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]-4-[3-[[3-[4-[[4-[6-[6-(4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]phenyl]diazenyl]phenyl]benzamide

N-[4-[6-[6-(4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]-4-[3-[[3-[4-[[4-[6-[6-(4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]phenyl]diazenyl]phenyl]benzamide (PubChem CID 177480631) has the molecular formula C72H52N8O4 and a molecular weight of 1093.26 g/mol. Its IUPAC name is N-[4-[6-[6-(4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]-4-[3-[[3-[4-[[4-[6-[6-(4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]phenyl]diazenyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[6-[6-(4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]-4-[3-[[3-[4-[[4-[6-[6-(4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]phenyl]diazenyl]phenyl]benzamide
PubChem CID177480631
Molecular FormulaC72H52N8O4
Molecular Weight1093.26 g/mol
Exact Mass1092.41
IUPAC NameN-[4-[6-[6-(4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]-4-[3-[[3-[4-[[4-[6-[6-(4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]phenyl]diazenyl]phenyl]benzamide
SMILESCOc1ccc(-c2cccc(-c3cccc(-c4ccc(NC(=O)c5ccc(-c6cccc(/N=N/c7cccc(-c8ccc(C(=O)Nc9ccc(-c%10cccc(-c%11cccc(-c%12ccc(OC)cc%12)n%11)n%10)cc9)cc8)c7)c6)cc5)cc4)n3)n2)cc1
InChIInChI=1S/C72H52N8O4/c1-83-61-41-33-51(34-42-61)65-15-7-19-69(77-65)67-17-5-13-63(75-67)49-29-37-57(38-30-49)73-71(81)53-25-21-47(22-26-53)55-9-3-11-59(45-55)79-80-60-12-4-10-56(46-60)48-23-27-54(28-24-48)72(82)74-58-39-31-50(32-40-58)64-14-6-18-68(76-64)70-20-8-16-66(78-70)52-35-43-62(84-2)44-36-52/h3-46H,1-2H3,(H,73,81)(H,74,82)/b80-79+
InChIKeyQPDYUXXOGXTBLL-SJLBKQRESA-N
XLogP17.54
TPSA152.94 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001093.26
LogP ≤ 517.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[4-[6-[6-(4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]-4-[3-[[3-[4-[[4-[6-[6-(4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]phenyl]diazenyl]phenyl]benzamide with MolForge

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Related Compounds

1-[4-[4-[4-[2,6-Bis(4-methoxyphenyl)pyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 45375927
4-fluoro-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]benzamide
CID 46085589
2-Fluoro-N-{3-[6-(4-methoxyphenyl)pyridin-2-YL]phenyl}-4-(trifluoromethyl)benzamide
CID 46087671
5-Fluoro-N-{3-[6-(4-methoxyphenyl)pyridin-2-YL]phenyl}-2-methylbenzamide
CID 46091278
2-(3-isocyanophenyl)-6-methylpyridine;methyl 3-(6-methyl-2-pyridinyl)benzoate;methyl N-[3-(6-methyl-2-pyridinyl)phenyl]carbamate;N-[3-(6-methyl-2-pyridinyl)phenyl]acetamide;1-[3-(6-methyl-2-pyridinyl)phenyl]ethanone;2-methyl-6-[3-(trifluoromethoxy)phenyl]pyridine;2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine
CID 157438977
N,N-dimethyl-4-(6-methyl-2-pyridinyl)aniline;2-(4-isocyanophenyl)-6-methylpyridine;methyl 4-(6-methyl-2-pyridinyl)benzoate;N-[4-(6-methyl-2-pyridinyl)phenyl]acetamide;2-methyl-6-[4-(trifluoromethoxy)phenyl]pyridine;2-methyl-6-[4-(trifluoromethyl)phenyl]pyridine
CID 158388520
N-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 1220167
rotaxane (Rmp)-28
CID 156599642
4-Quinolinecarboxamide, N,N'-[4-(phenylazo)-1,3-phenylene]bis[2-(4-methoxyphenyl)-(9CI)
CID 4410223
4-Quinolinecarboxamide, 2-(4-methoxyphenyl)-N-[4-(2-phenyldiazenyl)phenyl]-
CID 4413752
4-Quinolinecarboxamide, N,N'-[4-(phenylazo)-1,3-phenylene]bis[2-(4-ethoxyphenyl)-(9CI)
CID 4596568
5-Fluoro-N-{4-[6-(4-methoxyphenyl)pyridin-2-YL]phenyl}-2-methylbenzamide
CID 46091291

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[6-(4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]-4-[3-[[3-[4-[[4-[6-[6-(4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]phenyl]diazenyl]phenyl]benzamide?
The IUPAC name of N-[4-[6-[6-(4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]-4-[3-[[3-[4-[[4-[6-[6-(4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]phenyl]diazenyl]phenyl]benzamide (CID 177480631) is N-[4-[6-[6-(4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]-4-[3-[[3-[4-[[4-[6-[6-(4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]phenyl]diazenyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[6-[6-(4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]-4-[3-[[3-[4-[[4-[6-[6-(4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]phenyl]diazenyl]phenyl]benzamide?
The canonical SMILES for N-[4-[6-[6-(4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]-4-[3-[[3-[4-[[4-[6-[6-(4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]phenyl]diazenyl]phenyl]benzamide is COc1ccc(-c2cccc(-c3cccc(-c4ccc(NC(=O)c5ccc(-c6cccc(/N=N/c7cccc(-c8ccc(C(=O)Nc9ccc(-c%10cccc(-c%11cccc(-c%12ccc(OC)cc%12)n%11)n%10)cc9)cc8)c7)c6)cc5)cc4)n3)n2)cc1.
What is the InChIKey of N-[4-[6-[6-(4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]-4-[3-[[3-[4-[[4-[6-[6-(4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]phenyl]diazenyl]phenyl]benzamide?
The InChIKey is QPDYUXXOGXTBLL-SJLBKQRESA-N. The full InChI is InChI=1S/C72H52N8O4/c1-83-61-41-33-51(34-42-61)65-15-7-19-69(77-65)67-17-5-13-63(75-67)49-29-37-57(38-30-49)73-71(81)53-25-21-47(22-26-53)55-9-3-11-59(45-55)79-80-60-12-4-10-56(46-60)48-23-27-54(28-24-48)72(82)74-58-39-31-50(32-40-58)64-14-6-18-68(76-64)70-20-8-16-66(78-70)52-35-43-62(84-2)44-36-52/h3-46H,1-2H3,(H,73,81)(H,74,82)/b80-79+.
What are the key properties of N-[4-[6-[6-(4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]-4-[3-[[3-[4-[[4-[6-[6-(4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]phenyl]diazenyl]phenyl]benzamide?
N-[4-[6-[6-(4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]-4-[3-[[3-[4-[[4-[6-[6-(4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]phenyl]diazenyl]phenyl]benzamide has a molecular weight of 1093.26 g/mol, XLogP of 17.54, 16 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-[6-(4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]-4-[3-[[3-[4-[[4-[6-[6-(4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]phenyl]diazenyl]phenyl]benzamide is sourced from PubChem (CID 177480631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).