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

C58H49N7O6 — CID 88553810

IUPAC3-methoxy-4-[[4-(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(c4ccccc4)c4ccc(/N=N/c5c(OC)c(C(=O)N(C)c6ccc(OC)cc6)cc6ccccc56)cc4)cc3)c2OC)cc1
InChIInChI=1S/C58H49N7O6/c1-63(42-28-32-47(68-3)33-29-42)57(66)51-36-38-14-10-12-18-49(38)53(55(51)70-5)61-59-40-20-24-45(25-21-40)65(44-16-8-7-9-17-44)46-26-22-41(23-27-46)60-62-54-50-19-13-11-15-39(50)37-52(56(54)71-6)58(67)64(2)43-30-34-48(69-4)35-31-43/h7-37H,1-6H3/b61-59+,62-60+
InChIKeyZWOTXVLUECVWIG-SETLJMOUSA-N
MW940.07 g/mol
LogP14.88
Rot. Bonds15

About 3-methoxy-4-[[4-(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-(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 88553810) has the molecular formula C58H49N7O6 and a molecular weight of 940.07 g/mol. Its IUPAC name is 3-methoxy-4-[[4-(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-(N-[4-[[2-methoxy-3-[(4-methoxyphenyl)-methylcarbamoyl]naphthalen-1-yl]diazenyl]phenyl]anilino)phenyl]diazenyl]-N-(4-methoxyphenyl)-N-methylnaphthalene-2-carboxamide
PubChem CID88553810
Molecular FormulaC58H49N7O6
Molecular Weight940.07 g/mol
Exact Mass939.37
IUPAC Name3-methoxy-4-[[4-(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(c4ccccc4)c4ccc(/N=N/c5c(OC)c(C(=O)N(C)c6ccc(OC)cc6)cc6ccccc56)cc4)cc3)c2OC)cc1
InChIInChI=1S/C58H49N7O6/c1-63(42-28-32-47(68-3)33-29-42)57(66)51-36-38-14-10-12-18-49(38)53(55(51)70-5)61-59-40-20-24-45(25-21-40)65(44-16-8-7-9-17-44)46-26-22-41(23-27-46)60-62-54-50-19-13-11-15-39(50)37-52(56(54)71-6)58(67)64(2)43-30-34-48(69-4)35-31-43/h7-37H,1-6H3/b61-59+,62-60+
InChIKeyZWOTXVLUECVWIG-SETLJMOUSA-N
XLogP14.88
TPSA130.22 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500940.07
LogP ≤ 514.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[[4-(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-(N-[4-[[2-methoxy-3-[(4-methoxyphenyl)-methylcarbamoyl]naphthalen-1-yl]diazenyl]phenyl]anilino)phenyl]diazenyl]-N-(4-methoxyphenyl)-N-methylnaphthalene-2-carboxamide (CID 88553810) is 3-methoxy-4-[[4-(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-(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-(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(c4ccccc4)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-(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 ZWOTXVLUECVWIG-SETLJMOUSA-N. The full InChI is InChI=1S/C58H49N7O6/c1-63(42-28-32-47(68-3)33-29-42)57(66)51-36-38-14-10-12-18-49(38)53(55(51)70-5)61-59-40-20-24-45(25-21-40)65(44-16-8-7-9-17-44)46-26-22-41(23-27-46)60-62-54-50-19-13-11-15-39(50)37-52(56(54)71-6)58(67)64(2)43-30-34-48(69-4)35-31-43/h7-37H,1-6H3/b61-59+,62-60+.
What are the key properties of 3-methoxy-4-[[4-(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-(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 940.07 g/mol, XLogP of 14.88, 15 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[[4-(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 88553810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).