(1S)-6,7-dimethoxy-1-[[4-methoxy-3-[4-[[(1S)-6-methoxy-2,7-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-2,8-dimethyl-3,4-dihydro-1H-isoquinoline

C40H48N2O5 — CID 90348372

About (1S)-6,7-dimethoxy-1-[[4-methoxy-3-[4-[[(1S)-6-methoxy-2,7-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-2,8-dimethyl-3,4-dihydro-1H-isoquinoline

(1S)-6,7-dimethoxy-1-[[4-methoxy-3-[4-[[(1S)-6-methoxy-2,7-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-2,8-dimethyl-3,4-dihydro-1H-isoquinoline (PubChem CID 90348372) has the molecular formula C40H48N2O5 and a molecular weight of 636.83 g/mol. Its IUPAC name is (1S)-6,7-dimethoxy-1-[[4-methoxy-3-[4-[[(1S)-6-methoxy-2,7-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-2,8-dimethyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

• Compound Name: (1S)-6,7-dimethoxy-1-[[4-methoxy-3-[4-[[(1S)-6-methoxy-2,7-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-2,8-dimethyl-3,4-dihydro-1H-isoquinoline
• PubChem CID: 90348372
• Molecular Formula: C40H48N2O5
• Molecular Weight: 636.83 g/mol
• Exact Mass: 636.36
• IUPAC Name: (1S)-6,7-dimethoxy-1-[[4-methoxy-3-[4-[[(1S)-6-methoxy-2,7-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-2,8-dimethyl-3,4-dihydro-1H-isoquinoline
• SMILES: COc1cc2c(cc1C)[C@H](Cc1ccc(Oc3cc(C[C@H]4c5c(cc(OC)c(OC)c5C)CCN4C)ccc3OC)cc1)N(C)CC2
• InChI: InChI=1S/C40H48N2O5/c1-25-19-32-29(23-36(25)44-6)15-17-41(3)33(32)20-27-9-12-31(13-10-27)47-37-22-28(11-14-35(37)43-5)21-34-39-26(2)40(46-8)38(45-7)24-30(39)16-18-42(34)4/h9-14,19,22-24,33-34H,15-18,20-21H2,1-8H3/t33-,34-/m0/s1
• InChIKey: UWIFHFHPTZPDHT-HEVIKAOCSA-N
• XLogP: 7.67
• TPSA: 52.63 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	636.83
LogP ≤ 5	7.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (1S)-6,7-dimethoxy-1-[[4-methoxy-3-[4-[[(1S)-6-methoxy-2,7-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-2,8-dimethyl-3,4-dihydro-1H-isoquinoline?

The IUPAC name of (1S)-6,7-dimethoxy-1-[[4-methoxy-3-[4-[[(1S)-6-methoxy-2,7-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-2,8-dimethyl-3,4-dihydro-1H-isoquinoline (CID 90348372) is (1S)-6,7-dimethoxy-1-[[4-methoxy-3-[4-[[(1S)-6-methoxy-2,7-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-2,8-dimethyl-3,4-dihydro-1H-isoquinoline.

What is the SMILES notation for (1S)-6,7-dimethoxy-1-[[4-methoxy-3-[4-[[(1S)-6-methoxy-2,7-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-2,8-dimethyl-3,4-dihydro-1H-isoquinoline?

The canonical SMILES for (1S)-6,7-dimethoxy-1-[[4-methoxy-3-[4-[[(1S)-6-methoxy-2,7-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-2,8-dimethyl-3,4-dihydro-1H-isoquinoline is COc1cc2c(cc1C)[C@H](Cc1ccc(Oc3cc(C[C@H]4c5c(cc(OC)c(OC)c5C)CCN4C)ccc3OC)cc1)N(C)CC2.

What is the InChIKey of (1S)-6,7-dimethoxy-1-[[4-methoxy-3-[4-[[(1S)-6-methoxy-2,7-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-2,8-dimethyl-3,4-dihydro-1H-isoquinoline?

The InChIKey is UWIFHFHPTZPDHT-HEVIKAOCSA-N. The full InChI is InChI=1S/C40H48N2O5/c1-25-19-32-29(23-36(25)44-6)15-17-41(3)33(32)20-27-9-12-31(13-10-27)47-37-22-28(11-14-35(37)43-5)21-34-39-26(2)40(46-8)38(45-7)24-30(39)16-18-42(34)4/h9-14,19,22-24,33-34H,15-18,20-21H2,1-8H3/t33-,34-/m0/s1.

What are the key properties of (1S)-6,7-dimethoxy-1-[[4-methoxy-3-[4-[[(1S)-6-methoxy-2,7-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-2,8-dimethyl-3,4-dihydro-1H-isoquinoline?

(1S)-6,7-dimethoxy-1-[[4-methoxy-3-[4-[[(1S)-6-methoxy-2,7-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-2,8-dimethyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 636.83 g/mol, XLogP of 7.67, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-6,7-dimethoxy-1-[[4-methoxy-3-[4-[[(1S)-6-methoxy-2,7-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-2,8-dimethyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 90348372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).