3-methoxy-4-[[4-[4-[[2-methoxy-3-[(4-methoxyphenyl)-methylcarbamoyl]naphthalen-1-yl]diazenyl]-N-[4-[[2-methoxy-3-[(4-methoxyphenyl)-methylcarbamoyl]naphthalen-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-N-(4-methoxyphenyl)-N-methylnaphthalene-2-carboxamide

C78H66N10O9 — CID 88553808

IUPAC3-methoxy-4-[[4-[4-[[2-methoxy-3-[(4-methoxyphenyl)-methylcarbamoyl]naphthalen-1-yl]diazenyl]-N-[4-[[2-methoxy-3-[(4-methoxyphenyl)-methylcarbamoyl]naphthalen-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-N-(4-methoxyphenyl)-N-methylnaphthalene-2-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2cc3ccccc3c(/N=N/c3ccc(N(c4ccc(/N=N/c5c(OC)c(C(=O)N(C)c6ccc(OC)cc6)cc6ccccc56)cc4)c4ccc(/N=N/c5c(OC)c(C(=O)N(C)c6ccc(OC)cc6)cc6ccccc56)cc4)cc3)c2OC)cc1
InChIInChI=1S/C78H66N10O9/c1-85(55-34-40-61(92-4)41-35-55)76(89)67-46-49-16-10-13-19-64(49)70(73(67)95-7)82-79-52-22-28-58(29-23-52)88(59-30-24-53(25-31-59)80-83-71-65-20-14-11-17-50(65)47-68(74(71)96-8)77(90)86(2)56-36-42-62(93-5)43-37-56)60-32-26-54(27-33-60)81-84-72-66-21-15-12-18-51(66)48-69(75(72)97-9)78(91)87(3)57-38-44-63(94-6)45-39-57/h10-48H,1-9H3/b82-79+,83-80+,84-81+
InChIKeyYVFMLXZYECUNRQ-CTIRTQPLSA-N
MW1287.45 g/mol
LogP19.74
Rot. Bonds21

About 3-methoxy-4-[[4-[4-[[2-methoxy-3-[(4-methoxyphenyl)-methylcarbamoyl]naphthalen-1-yl]diazenyl]-N-[4-[[2-methoxy-3-[(4-methoxyphenyl)-methylcarbamoyl]naphthalen-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-N-(4-methoxyphenyl)-N-methylnaphthalene-2-carboxamide

3-methoxy-4-[[4-[4-[[2-methoxy-3-[(4-methoxyphenyl)-methylcarbamoyl]naphthalen-1-yl]diazenyl]-N-[4-[[2-methoxy-3-[(4-methoxyphenyl)-methylcarbamoyl]naphthalen-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-N-(4-methoxyphenyl)-N-methylnaphthalene-2-carboxamide (PubChem CID 88553808) has the molecular formula C78H66N10O9 and a molecular weight of 1287.45 g/mol. Its IUPAC name is 3-methoxy-4-[[4-[4-[[2-methoxy-3-[(4-methoxyphenyl)-methylcarbamoyl]naphthalen-1-yl]diazenyl]-N-[4-[[2-methoxy-3-[(4-methoxyphenyl)-methylcarbamoyl]naphthalen-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-N-(4-methoxyphenyl)-N-methylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-4-[[4-[4-[[2-methoxy-3-[(4-methoxyphenyl)-methylcarbamoyl]naphthalen-1-yl]diazenyl]-N-[4-[[2-methoxy-3-[(4-methoxyphenyl)-methylcarbamoyl]naphthalen-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-N-(4-methoxyphenyl)-N-methylnaphthalene-2-carboxamide
PubChem CID88553808
Molecular FormulaC78H66N10O9
Molecular Weight1287.45 g/mol
Exact Mass1286.50
IUPAC Name3-methoxy-4-[[4-[4-[[2-methoxy-3-[(4-methoxyphenyl)-methylcarbamoyl]naphthalen-1-yl]diazenyl]-N-[4-[[2-methoxy-3-[(4-methoxyphenyl)-methylcarbamoyl]naphthalen-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-N-(4-methoxyphenyl)-N-methylnaphthalene-2-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2cc3ccccc3c(/N=N/c3ccc(N(c4ccc(/N=N/c5c(OC)c(C(=O)N(C)c6ccc(OC)cc6)cc6ccccc56)cc4)c4ccc(/N=N/c5c(OC)c(C(=O)N(C)c6ccc(OC)cc6)cc6ccccc56)cc4)cc3)c2OC)cc1
InChIInChI=1S/C78H66N10O9/c1-85(55-34-40-61(92-4)41-35-55)76(89)67-46-49-16-10-13-19-64(49)70(73(67)95-7)82-79-52-22-28-58(29-23-52)88(59-30-24-53(25-31-59)80-83-71-65-20-14-11-17-50(65)47-68(74(71)96-8)77(90)86(2)56-36-42-62(93-5)43-37-56)60-32-26-54(27-33-60)81-84-72-66-21-15-12-18-51(66)48-69(75(72)97-9)78(91)87(3)57-38-44-63(94-6)45-39-57/h10-48H,1-9H3/b82-79+,83-80+,84-81+
InChIKeyYVFMLXZYECUNRQ-CTIRTQPLSA-N
XLogP19.74
TPSA193.71 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds21
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001287.45
LogP ≤ 519.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 3-methoxy-4-[[4-[4-[[2-methoxy-3-[(4-methoxyphenyl)-methylcarbamoyl]naphthalen-1-yl]diazenyl]-N-[4-[[2-methoxy-3-[(4-methoxyphenyl)-methylcarbamoyl]naphthalen-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-N-(4-methoxyphenyl)-N-methylnaphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[[4-[4-[[2-methoxy-3-[(4-methoxyphenyl)-methylcarbamoyl]naphthalen-1-yl]diazenyl]-N-[4-[[2-methoxy-3-[(4-methoxyphenyl)-methylcarbamoyl]naphthalen-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-N-(4-methoxyphenyl)-N-methylnaphthalene-2-carboxamide?
The IUPAC name of 3-methoxy-4-[[4-[4-[[2-methoxy-3-[(4-methoxyphenyl)-methylcarbamoyl]naphthalen-1-yl]diazenyl]-N-[4-[[2-methoxy-3-[(4-methoxyphenyl)-methylcarbamoyl]naphthalen-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-N-(4-methoxyphenyl)-N-methylnaphthalene-2-carboxamide (CID 88553808) is 3-methoxy-4-[[4-[4-[[2-methoxy-3-[(4-methoxyphenyl)-methylcarbamoyl]naphthalen-1-yl]diazenyl]-N-[4-[[2-methoxy-3-[(4-methoxyphenyl)-methylcarbamoyl]naphthalen-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-N-(4-methoxyphenyl)-N-methylnaphthalene-2-carboxamide.
What is the SMILES notation for 3-methoxy-4-[[4-[4-[[2-methoxy-3-[(4-methoxyphenyl)-methylcarbamoyl]naphthalen-1-yl]diazenyl]-N-[4-[[2-methoxy-3-[(4-methoxyphenyl)-methylcarbamoyl]naphthalen-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-N-(4-methoxyphenyl)-N-methylnaphthalene-2-carboxamide?
The canonical SMILES for 3-methoxy-4-[[4-[4-[[2-methoxy-3-[(4-methoxyphenyl)-methylcarbamoyl]naphthalen-1-yl]diazenyl]-N-[4-[[2-methoxy-3-[(4-methoxyphenyl)-methylcarbamoyl]naphthalen-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-N-(4-methoxyphenyl)-N-methylnaphthalene-2-carboxamide is COc1ccc(N(C)C(=O)c2cc3ccccc3c(/N=N/c3ccc(N(c4ccc(/N=N/c5c(OC)c(C(=O)N(C)c6ccc(OC)cc6)cc6ccccc56)cc4)c4ccc(/N=N/c5c(OC)c(C(=O)N(C)c6ccc(OC)cc6)cc6ccccc56)cc4)cc3)c2OC)cc1.
What is the InChIKey of 3-methoxy-4-[[4-[4-[[2-methoxy-3-[(4-methoxyphenyl)-methylcarbamoyl]naphthalen-1-yl]diazenyl]-N-[4-[[2-methoxy-3-[(4-methoxyphenyl)-methylcarbamoyl]naphthalen-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-N-(4-methoxyphenyl)-N-methylnaphthalene-2-carboxamide?
The InChIKey is YVFMLXZYECUNRQ-CTIRTQPLSA-N. The full InChI is InChI=1S/C78H66N10O9/c1-85(55-34-40-61(92-4)41-35-55)76(89)67-46-49-16-10-13-19-64(49)70(73(67)95-7)82-79-52-22-28-58(29-23-52)88(59-30-24-53(25-31-59)80-83-71-65-20-14-11-17-50(65)47-68(74(71)96-8)77(90)86(2)56-36-42-62(93-5)43-37-56)60-32-26-54(27-33-60)81-84-72-66-21-15-12-18-51(66)48-69(75(72)97-9)78(91)87(3)57-38-44-63(94-6)45-39-57/h10-48H,1-9H3/b82-79+,83-80+,84-81+.
What are the key properties of 3-methoxy-4-[[4-[4-[[2-methoxy-3-[(4-methoxyphenyl)-methylcarbamoyl]naphthalen-1-yl]diazenyl]-N-[4-[[2-methoxy-3-[(4-methoxyphenyl)-methylcarbamoyl]naphthalen-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-N-(4-methoxyphenyl)-N-methylnaphthalene-2-carboxamide?
3-methoxy-4-[[4-[4-[[2-methoxy-3-[(4-methoxyphenyl)-methylcarbamoyl]naphthalen-1-yl]diazenyl]-N-[4-[[2-methoxy-3-[(4-methoxyphenyl)-methylcarbamoyl]naphthalen-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-N-(4-methoxyphenyl)-N-methylnaphthalene-2-carboxamide has a molecular weight of 1287.45 g/mol, XLogP of 19.74, 21 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[[4-[4-[[2-methoxy-3-[(4-methoxyphenyl)-methylcarbamoyl]naphthalen-1-yl]diazenyl]-N-[4-[[2-methoxy-3-[(4-methoxyphenyl)-methylcarbamoyl]naphthalen-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-N-(4-methoxyphenyl)-N-methylnaphthalene-2-carboxamide is sourced from PubChem (CID 88553808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).