6-(4-methoxyanilino)-2-[[2-methoxy-4-[[2-methoxy-4-[(6-propoxynaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-5-methylphenyl]diazenyl]naphthalen-1-ol

C49H43N7O5 — CID 140963067

About 6-(4-methoxyanilino)-2-[[2-methoxy-4-[[2-methoxy-4-[(6-propoxynaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-5-methylphenyl]diazenyl]naphthalen-1-ol

6-(4-methoxyanilino)-2-[[2-methoxy-4-[[2-methoxy-4-[(6-propoxynaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-5-methylphenyl]diazenyl]naphthalen-1-ol (PubChem CID 140963067) has the molecular formula C49H43N7O5 and a molecular weight of 809.93 g/mol. Its IUPAC name is 6-(4-methoxyanilino)-2-[[2-methoxy-4-[[2-methoxy-4-[(6-propoxynaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-5-methylphenyl]diazenyl]naphthalen-1-ol.

Molecular Properties

• Compound Name: 6-(4-methoxyanilino)-2-[[2-methoxy-4-[[2-methoxy-4-[(6-propoxynaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-5-methylphenyl]diazenyl]naphthalen-1-ol
• PubChem CID: 140963067
• Molecular Formula: C49H43N7O5
• Molecular Weight: 809.93 g/mol
• Exact Mass: 809.33
• IUPAC Name: 6-(4-methoxyanilino)-2-[[2-methoxy-4-[[2-methoxy-4-[(6-propoxynaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-5-methylphenyl]diazenyl]naphthalen-1-ol
• SMILES: CCCOc1ccc2cc(/N=N/c3cc(OC)c(/N=N/c4cc(OC)c(/N=N/c5ccc6cc(Nc7ccc(OC)cc7)ccc6c5O)cc4C)c4ccccc34)ccc2c1
• InChI: InChI=1S/C49H43N7O5/c1-6-23-61-38-18-12-31-25-36(14-11-32(31)27-38)51-54-44-29-47(60-5)48(41-10-8-7-9-40(41)44)56-53-43-28-46(59-4)45(24-30(43)2)55-52-42-22-13-33-26-35(17-21-39(33)49(42)57)50-34-15-19-37(58-3)20-16-34/h7-22,24-29,50,57H,6,23H2,1-5H3/b54-51+,55-52+,56-53+
• InChIKey: LGVUMDNIDKQALF-SFTFRQRHSA-N
• XLogP: 14.96
• TPSA: 143.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	809.93
LogP ≤ 5	14.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyanilino)-2-[[2-methoxy-4-[[2-methoxy-4-[(6-propoxynaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-5-methylphenyl]diazenyl]naphthalen-1-ol?

The IUPAC name of 6-(4-methoxyanilino)-2-[[2-methoxy-4-[[2-methoxy-4-[(6-propoxynaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-5-methylphenyl]diazenyl]naphthalen-1-ol (CID 140963067) is 6-(4-methoxyanilino)-2-[[2-methoxy-4-[[2-methoxy-4-[(6-propoxynaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-5-methylphenyl]diazenyl]naphthalen-1-ol.

What is the SMILES notation for 6-(4-methoxyanilino)-2-[[2-methoxy-4-[[2-methoxy-4-[(6-propoxynaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-5-methylphenyl]diazenyl]naphthalen-1-ol?

The canonical SMILES for 6-(4-methoxyanilino)-2-[[2-methoxy-4-[[2-methoxy-4-[(6-propoxynaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-5-methylphenyl]diazenyl]naphthalen-1-ol is CCCOc1ccc2cc(/N=N/c3cc(OC)c(/N=N/c4cc(OC)c(/N=N/c5ccc6cc(Nc7ccc(OC)cc7)ccc6c5O)cc4C)c4ccccc34)ccc2c1.

What is the InChIKey of 6-(4-methoxyanilino)-2-[[2-methoxy-4-[[2-methoxy-4-[(6-propoxynaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-5-methylphenyl]diazenyl]naphthalen-1-ol?

The InChIKey is LGVUMDNIDKQALF-SFTFRQRHSA-N. The full InChI is InChI=1S/C49H43N7O5/c1-6-23-61-38-18-12-31-25-36(14-11-32(31)27-38)51-54-44-29-47(60-5)48(41-10-8-7-9-40(41)44)56-53-43-28-46(59-4)45(24-30(43)2)55-52-42-22-13-33-26-35(17-21-39(33)49(42)57)50-34-15-19-37(58-3)20-16-34/h7-22,24-29,50,57H,6,23H2,1-5H3/b54-51+,55-52+,56-53+.

What are the key properties of 6-(4-methoxyanilino)-2-[[2-methoxy-4-[[2-methoxy-4-[(6-propoxynaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-5-methylphenyl]diazenyl]naphthalen-1-ol?

6-(4-methoxyanilino)-2-[[2-methoxy-4-[[2-methoxy-4-[(6-propoxynaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-5-methylphenyl]diazenyl]naphthalen-1-ol has a molecular weight of 809.93 g/mol, XLogP of 14.96, 14 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-methoxyanilino)-2-[[2-methoxy-4-[[2-methoxy-4-[(6-propoxynaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-5-methylphenyl]diazenyl]naphthalen-1-ol is sourced from PubChem (CID 140963067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).