3,4,15,16-tetramethoxy-10-methyl-8-[(4,5,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-8-yl)methyl]-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene

C43H46N2O8 — CID 7566679

About 3,4,15,16-tetramethoxy-10-methyl-8-[(4,5,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-8-yl)methyl]-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene

3,4,15,16-tetramethoxy-10-methyl-8-[(4,5,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-8-yl)methyl]-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene (PubChem CID 7566679) has the molecular formula C43H46N2O8 and a molecular weight of 718.85 g/mol. Its IUPAC name is 3,4,15,16-tetramethoxy-10-methyl-8-[(4,5,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-8-yl)methyl]-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene.

Molecular Properties

• Compound Name: 3,4,15,16-tetramethoxy-10-methyl-8-[(4,5,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-8-yl)methyl]-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene
• PubChem CID: 7566679
• Molecular Formula: C43H46N2O8
• Molecular Weight: 718.85 g/mol
• Exact Mass: 718.33
• IUPAC Name: 3,4,15,16-tetramethoxy-10-methyl-8-[(4,5,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-8-yl)methyl]-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene
• SMILES: COc1cc2c(Cc3c4c5c(cc(OC)c(OC)c5c5c(OC)c(OC)ccc35)CCN4C)c3c4c(cc(OC)c(OC)c4c2cc1OC)CCN3C
• InChI: InChI=1S/C43H46N2O8/c1-44-16-14-23-18-33(50-7)43(53-10)38-35(23)39(44)27(24-11-12-29(46-3)41(51-8)36(24)38)19-28-25-20-30(47-4)31(48-5)21-26(25)37-34-22(13-15-45(2)40(28)34)17-32(49-6)42(37)52-9/h11-12,17-18,20-21H,13-16,19H2,1-10H3
• InChIKey: RUOFHNQGXSNLHB-UHFFFAOYSA-N
• XLogP: 7.94
• TPSA: 80.32 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	718.85
LogP ≤ 5	7.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,4,15,16-tetramethoxy-10-methyl-8-[(4,5,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-8-yl)methyl]-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene?

The IUPAC name of 3,4,15,16-tetramethoxy-10-methyl-8-[(4,5,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-8-yl)methyl]-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene (CID 7566679) is 3,4,15,16-tetramethoxy-10-methyl-8-[(4,5,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-8-yl)methyl]-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene.

What is the SMILES notation for 3,4,15,16-tetramethoxy-10-methyl-8-[(4,5,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-8-yl)methyl]-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene?

The canonical SMILES for 3,4,15,16-tetramethoxy-10-methyl-8-[(4,5,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-8-yl)methyl]-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene is COc1cc2c(Cc3c4c5c(cc(OC)c(OC)c5c5c(OC)c(OC)ccc35)CCN4C)c3c4c(cc(OC)c(OC)c4c2cc1OC)CCN3C.

What is the InChIKey of 3,4,15,16-tetramethoxy-10-methyl-8-[(4,5,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-8-yl)methyl]-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene?

The InChIKey is RUOFHNQGXSNLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H46N2O8/c1-44-16-14-23-18-33(50-7)43(53-10)38-35(23)39(44)27(24-11-12-29(46-3)41(51-8)36(24)38)19-28-25-20-30(47-4)31(48-5)21-26(25)37-34-22(13-15-45(2)40(28)34)17-32(49-6)42(37)52-9/h11-12,17-18,20-21H,13-16,19H2,1-10H3.

What are the key properties of 3,4,15,16-tetramethoxy-10-methyl-8-[(4,5,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-8-yl)methyl]-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene?

3,4,15,16-tetramethoxy-10-methyl-8-[(4,5,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-8-yl)methyl]-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene has a molecular weight of 718.85 g/mol, XLogP of 7.94, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4,15,16-tetramethoxy-10-methyl-8-[(4,5,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-8-yl)methyl]-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene is sourced from PubChem (CID 7566679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).