4-[[1-[2-[[5-hydroxy-6-(4-methoxyphenyl)-1,2-dihydroacenaphthylen-4-yl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-(4-methoxyphenyl)-1,2-dihydroacenaphthylen-5-ol

C60H44N2O4 — CID 155770246

About 4-[[1-[2-[[5-hydroxy-6-(4-methoxyphenyl)-1,2-dihydroacenaphthylen-4-yl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-(4-methoxyphenyl)-1,2-dihydroacenaphthylen-5-ol

4-[[1-[2-[[5-hydroxy-6-(4-methoxyphenyl)-1,2-dihydroacenaphthylen-4-yl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-(4-methoxyphenyl)-1,2-dihydroacenaphthylen-5-ol (PubChem CID 155770246) has the molecular formula C60H44N2O4 and a molecular weight of 857.02 g/mol. Its IUPAC name is 4-[[1-[2-[[5-hydroxy-6-(4-methoxyphenyl)-1,2-dihydroacenaphthylen-4-yl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-(4-methoxyphenyl)-1,2-dihydroacenaphthylen-5-ol.

Molecular Properties

• Compound Name: 4-[[1-[2-[[5-hydroxy-6-(4-methoxyphenyl)-1,2-dihydroacenaphthylen-4-yl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-(4-methoxyphenyl)-1,2-dihydroacenaphthylen-5-ol
• PubChem CID: 155770246
• Molecular Formula: C60H44N2O4
• Molecular Weight: 857.02 g/mol
• Exact Mass: 856.33
• IUPAC Name: 4-[[1-[2-[[5-hydroxy-6-(4-methoxyphenyl)-1,2-dihydroacenaphthylen-4-yl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-(4-methoxyphenyl)-1,2-dihydroacenaphthylen-5-ol
• SMILES: COc1ccc(-c2ccc3c4c(cc(/C=N\c5ccc6ccccc6c5-c5c(/N=C/c6cc7c8c(ccc(-c9ccc(OC)cc9)c8c6O)CC7)ccc6ccccc56)c(O)c24)CC3)cc1
• InChI: InChI=1S/C60H44N2O4/c1-65-45-23-15-37(16-24-45)49-27-19-39-11-13-41-31-43(59(63)57(49)53(39)41)33-61-51-29-21-35-7-3-5-9-47(35)55(51)56-48-10-6-4-8-36(48)22-30-52(56)62-34-44-32-42-14-12-40-20-28-50(58(54(40)42)60(44)64)38-17-25-46(66-2)26-18-38/h3-10,15-34,63-64H,11-14H2,1-2H3/b61-33-,62-34+
• InChIKey: JRNYFNNFDCQFCH-HSCZZVSZSA-N
• XLogP: 14.43
• TPSA: 83.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	857.02
LogP ≤ 5	14.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[2-[[5-hydroxy-6-(4-methoxyphenyl)-1,2-dihydroacenaphthylen-4-yl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-(4-methoxyphenyl)-1,2-dihydroacenaphthylen-5-ol?

The IUPAC name of 4-[[1-[2-[[5-hydroxy-6-(4-methoxyphenyl)-1,2-dihydroacenaphthylen-4-yl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-(4-methoxyphenyl)-1,2-dihydroacenaphthylen-5-ol (CID 155770246) is 4-[[1-[2-[[5-hydroxy-6-(4-methoxyphenyl)-1,2-dihydroacenaphthylen-4-yl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-(4-methoxyphenyl)-1,2-dihydroacenaphthylen-5-ol.

What is the SMILES notation for 4-[[1-[2-[[5-hydroxy-6-(4-methoxyphenyl)-1,2-dihydroacenaphthylen-4-yl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-(4-methoxyphenyl)-1,2-dihydroacenaphthylen-5-ol?

The canonical SMILES for 4-[[1-[2-[[5-hydroxy-6-(4-methoxyphenyl)-1,2-dihydroacenaphthylen-4-yl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-(4-methoxyphenyl)-1,2-dihydroacenaphthylen-5-ol is COc1ccc(-c2ccc3c4c(cc(/C=N\c5ccc6ccccc6c5-c5c(/N=C/c6cc7c8c(ccc(-c9ccc(OC)cc9)c8c6O)CC7)ccc6ccccc56)c(O)c24)CC3)cc1.

What is the InChIKey of 4-[[1-[2-[[5-hydroxy-6-(4-methoxyphenyl)-1,2-dihydroacenaphthylen-4-yl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-(4-methoxyphenyl)-1,2-dihydroacenaphthylen-5-ol?

The InChIKey is JRNYFNNFDCQFCH-HSCZZVSZSA-N. The full InChI is InChI=1S/C60H44N2O4/c1-65-45-23-15-37(16-24-45)49-27-19-39-11-13-41-31-43(59(63)57(49)53(39)41)33-61-51-29-21-35-7-3-5-9-47(35)55(51)56-48-10-6-4-8-36(48)22-30-52(56)62-34-44-32-42-14-12-40-20-28-50(58(54(40)42)60(44)64)38-17-25-46(66-2)26-18-38/h3-10,15-34,63-64H,11-14H2,1-2H3/b61-33-,62-34+.

What are the key properties of 4-[[1-[2-[[5-hydroxy-6-(4-methoxyphenyl)-1,2-dihydroacenaphthylen-4-yl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-(4-methoxyphenyl)-1,2-dihydroacenaphthylen-5-ol?

4-[[1-[2-[[5-hydroxy-6-(4-methoxyphenyl)-1,2-dihydroacenaphthylen-4-yl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-(4-methoxyphenyl)-1,2-dihydroacenaphthylen-5-ol has a molecular weight of 857.02 g/mol, XLogP of 14.43, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[1-[2-[[5-hydroxy-6-(4-methoxyphenyl)-1,2-dihydroacenaphthylen-4-yl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-(4-methoxyphenyl)-1,2-dihydroacenaphthylen-5-ol is sourced from PubChem (CID 155770246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).