7-[4-hydroxy-3-[1-hydroxy-4-(6-hydroxy-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-8-methoxy-6-methylnaphthalen-2-yl]-5-methoxy-7-methylnaphthalen-1-yl]-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol

C48H52N2O8 — CID 73079738

About 7-[4-hydroxy-3-[1-hydroxy-4-(6-hydroxy-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-8-methoxy-6-methylnaphthalen-2-yl]-5-methoxy-7-methylnaphthalen-1-yl]-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol

7-[4-hydroxy-3-[1-hydroxy-4-(6-hydroxy-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-8-methoxy-6-methylnaphthalen-2-yl]-5-methoxy-7-methylnaphthalen-1-yl]-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol (PubChem CID 73079738) has the molecular formula C48H52N2O8 and a molecular weight of 784.95 g/mol. Its IUPAC name is 7-[4-hydroxy-3-[1-hydroxy-4-(6-hydroxy-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-8-methoxy-6-methylnaphthalen-2-yl]-5-methoxy-7-methylnaphthalen-1-yl]-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol.

Molecular Properties

• Compound Name: 7-[4-hydroxy-3-[1-hydroxy-4-(6-hydroxy-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-8-methoxy-6-methylnaphthalen-2-yl]-5-methoxy-7-methylnaphthalen-1-yl]-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol
• PubChem CID: 73079738
• Molecular Formula: C48H52N2O8
• Molecular Weight: 784.95 g/mol
• Exact Mass: 784.37
• IUPAC Name: 7-[4-hydroxy-3-[1-hydroxy-4-(6-hydroxy-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-8-methoxy-6-methylnaphthalen-2-yl]-5-methoxy-7-methylnaphthalen-1-yl]-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol
• SMILES: COc1c(-c2cc(-c3cc(-c4c(O)cc5c(c4OC)C(C)NC(C)C5)c4cc(C)cc(OC)c4c3O)c(O)c3c(OC)cc(C)cc23)c(O)cc2c1C(C)NC(C)C2
• InChI: InChI=1S/C48H52N2O8/c1-21-11-29-31(41-35(51)17-27-15-23(3)49-25(5)39(27)47(41)57-9)19-33(45(53)43(29)37(13-21)55-7)34-20-32(30-12-22(2)14-38(56-8)44(30)46(34)54)42-36(52)18-28-16-24(4)50-26(6)40(28)48(42)58-10/h11-14,17-20,23-26,49-54H,15-16H2,1-10H3
• InChIKey: YJBKRMVWBVUPNX-UHFFFAOYSA-N
• XLogP: 9.66
• TPSA: 141.90 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	784.95
LogP ≤ 5	9.66
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 7-[4-hydroxy-3-[1-hydroxy-4-(6-hydroxy-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-8-methoxy-6-methylnaphthalen-2-yl]-5-methoxy-7-methylnaphthalen-1-yl]-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol?

The IUPAC name of 7-[4-hydroxy-3-[1-hydroxy-4-(6-hydroxy-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-8-methoxy-6-methylnaphthalen-2-yl]-5-methoxy-7-methylnaphthalen-1-yl]-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol (CID 73079738) is 7-[4-hydroxy-3-[1-hydroxy-4-(6-hydroxy-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-8-methoxy-6-methylnaphthalen-2-yl]-5-methoxy-7-methylnaphthalen-1-yl]-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol.

What is the SMILES notation for 7-[4-hydroxy-3-[1-hydroxy-4-(6-hydroxy-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-8-methoxy-6-methylnaphthalen-2-yl]-5-methoxy-7-methylnaphthalen-1-yl]-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol?

The canonical SMILES for 7-[4-hydroxy-3-[1-hydroxy-4-(6-hydroxy-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-8-methoxy-6-methylnaphthalen-2-yl]-5-methoxy-7-methylnaphthalen-1-yl]-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol is COc1c(-c2cc(-c3cc(-c4c(O)cc5c(c4OC)C(C)NC(C)C5)c4cc(C)cc(OC)c4c3O)c(O)c3c(OC)cc(C)cc23)c(O)cc2c1C(C)NC(C)C2.

What is the InChIKey of 7-[4-hydroxy-3-[1-hydroxy-4-(6-hydroxy-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-8-methoxy-6-methylnaphthalen-2-yl]-5-methoxy-7-methylnaphthalen-1-yl]-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol?

The InChIKey is YJBKRMVWBVUPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H52N2O8/c1-21-11-29-31(41-35(51)17-27-15-23(3)49-25(5)39(27)47(41)57-9)19-33(45(53)43(29)37(13-21)55-7)34-20-32(30-12-22(2)14-38(56-8)44(30)46(34)54)42-36(52)18-28-16-24(4)50-26(6)40(28)48(42)58-10/h11-14,17-20,23-26,49-54H,15-16H2,1-10H3.

What are the key properties of 7-[4-hydroxy-3-[1-hydroxy-4-(6-hydroxy-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-8-methoxy-6-methylnaphthalen-2-yl]-5-methoxy-7-methylnaphthalen-1-yl]-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol?

7-[4-hydroxy-3-[1-hydroxy-4-(6-hydroxy-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-8-methoxy-6-methylnaphthalen-2-yl]-5-methoxy-7-methylnaphthalen-1-yl]-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol has a molecular weight of 784.95 g/mol, XLogP of 9.66, 7 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-hydroxy-3-[1-hydroxy-4-(6-hydroxy-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-8-methoxy-6-methylnaphthalen-2-yl]-5-methoxy-7-methylnaphthalen-1-yl]-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol is sourced from PubChem (CID 73079738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).