1-(11-hydroxy-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-5-yl)-2-(11-hydroxy-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-yl)ethane-1,2-diol

C40H44N2O10 — CID 101497866

About 1-(11-hydroxy-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-5-yl)-2-(11-hydroxy-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-yl)ethane-1,2-diol

1-(11-hydroxy-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-5-yl)-2-(11-hydroxy-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-yl)ethane-1,2-diol (PubChem CID 101497866) has the molecular formula C40H44N2O10 and a molecular weight of 712.80 g/mol. Its IUPAC name is 1-(11-hydroxy-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-5-yl)-2-(11-hydroxy-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-yl)ethane-1,2-diol.

Molecular Properties

• Compound Name: 1-(11-hydroxy-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-5-yl)-2-(11-hydroxy-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-yl)ethane-1,2-diol
• PubChem CID: 101497866
• Molecular Formula: C40H44N2O10
• Molecular Weight: 712.80 g/mol
• Exact Mass: 712.30
• IUPAC Name: 1-(11-hydroxy-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-5-yl)-2-(11-hydroxy-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-yl)ethane-1,2-diol
• SMILES: COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1C(C2)NC(C(O)C(O)C1c2ccc(OC)c(O)c2-c2c(OC)c(OC)cc4c2C1NCC4)C3
• InChI: InChI=1S/C40H44N2O10/c1-47-23-9-7-17-13-21-27-19(16-26(50-4)39(51-5)32(27)29(17)36(23)44)14-22(42-21)35(43)38(46)31-20-8-10-24(48-2)37(45)30(20)33-28-18(11-12-41-34(28)31)15-25(49-3)40(33)52-6/h7-10,15-16,21-22,31,34-35,38,41-46H,11-14H2,1-6H3
• InChIKey: DPYAOKNBRFRTLM-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 160.36 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	712.80
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1-(11-hydroxy-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-5-yl)-2-(11-hydroxy-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-yl)ethane-1,2-diol?

The IUPAC name of 1-(11-hydroxy-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-5-yl)-2-(11-hydroxy-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-yl)ethane-1,2-diol (CID 101497866) is 1-(11-hydroxy-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-5-yl)-2-(11-hydroxy-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-yl)ethane-1,2-diol.

What is the SMILES notation for 1-(11-hydroxy-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-5-yl)-2-(11-hydroxy-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-yl)ethane-1,2-diol?

The canonical SMILES for 1-(11-hydroxy-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-5-yl)-2-(11-hydroxy-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-yl)ethane-1,2-diol is COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1C(C2)NC(C(O)C(O)C1c2ccc(OC)c(O)c2-c2c(OC)c(OC)cc4c2C1NCC4)C3.

What is the InChIKey of 1-(11-hydroxy-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-5-yl)-2-(11-hydroxy-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-yl)ethane-1,2-diol?

The InChIKey is DPYAOKNBRFRTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H44N2O10/c1-47-23-9-7-17-13-21-27-19(16-26(50-4)39(51-5)32(27)29(17)36(23)44)14-22(42-21)35(43)38(46)31-20-8-10-24(48-2)37(45)30(20)33-28-18(11-12-41-34(28)31)15-25(49-3)40(33)52-6/h7-10,15-16,21-22,31,34-35,38,41-46H,11-14H2,1-6H3.

What are the key properties of 1-(11-hydroxy-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-5-yl)-2-(11-hydroxy-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-yl)ethane-1,2-diol?

1-(11-hydroxy-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-5-yl)-2-(11-hydroxy-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-yl)ethane-1,2-diol has a molecular weight of 712.80 g/mol, XLogP of 4.30, 9 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(11-hydroxy-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-5-yl)-2-(11-hydroxy-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-yl)ethane-1,2-diol is sourced from PubChem (CID 101497866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).