7-methoxy-9-[7-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)heptyl]-1-methylpyrido[3,4-b]indole

C33H36N4O2 — CID 71539420

IUPAC7-methoxy-9-[7-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)heptyl]-1-methylpyrido[3,4-b]indole
SMILESCOc1ccc2c3ccnc(C)c3n(CCCCCCCn3c4cc(OC)ccc4c4ccnc(C)c43)c2c1
InChIInChI=1S/C33H36N4O2/c1-22-32-28(14-16-34-22)26-12-10-24(38-3)20-30(26)36(32)18-8-6-5-7-9-19-37-31-21-25(39-4)11-13-27(31)29-15-17-35-23(2)33(29)37/h10-17,20-21H,5-9,18-19H2,1-4H3
InChIKeyROTZBOZCUWSYMF-UHFFFAOYSA-N
MW520.68 g/mol
LogP7.98
Rot. Bonds10

About 7-methoxy-9-[7-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)heptyl]-1-methylpyrido[3,4-b]indole

7-methoxy-9-[7-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)heptyl]-1-methylpyrido[3,4-b]indole (PubChem CID 71539420) has the molecular formula C33H36N4O2 and a molecular weight of 520.68 g/mol. Its IUPAC name is 7-methoxy-9-[7-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)heptyl]-1-methylpyrido[3,4-b]indole.

Molecular Properties

Compound Name7-methoxy-9-[7-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)heptyl]-1-methylpyrido[3,4-b]indole
PubChem CID71539420
Molecular FormulaC33H36N4O2
Molecular Weight520.68 g/mol
Exact Mass520.28
IUPAC Name7-methoxy-9-[7-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)heptyl]-1-methylpyrido[3,4-b]indole
SMILESCOc1ccc2c3ccnc(C)c3n(CCCCCCCn3c4cc(OC)ccc4c4ccnc(C)c43)c2c1
InChIInChI=1S/C33H36N4O2/c1-22-32-28(14-16-34-22)26-12-10-24(38-3)20-30(26)36(32)18-8-6-5-7-9-19-37-31-21-25(39-4)11-13-27(31)29-15-17-35-23(2)33(29)37/h10-17,20-21H,5-9,18-19H2,1-4H3
InChIKeyROTZBOZCUWSYMF-UHFFFAOYSA-N
XLogP7.98
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.68
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-9-[7-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)heptyl]-1-methylpyrido[3,4-b]indole?
The IUPAC name of 7-methoxy-9-[7-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)heptyl]-1-methylpyrido[3,4-b]indole (CID 71539420) is 7-methoxy-9-[7-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)heptyl]-1-methylpyrido[3,4-b]indole.
What is the SMILES notation for 7-methoxy-9-[7-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)heptyl]-1-methylpyrido[3,4-b]indole?
The canonical SMILES for 7-methoxy-9-[7-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)heptyl]-1-methylpyrido[3,4-b]indole is COc1ccc2c3ccnc(C)c3n(CCCCCCCn3c4cc(OC)ccc4c4ccnc(C)c43)c2c1.
What is the InChIKey of 7-methoxy-9-[7-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)heptyl]-1-methylpyrido[3,4-b]indole?
The InChIKey is ROTZBOZCUWSYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N4O2/c1-22-32-28(14-16-34-22)26-12-10-24(38-3)20-30(26)36(32)18-8-6-5-7-9-19-37-31-21-25(39-4)11-13-27(31)29-15-17-35-23(2)33(29)37/h10-17,20-21H,5-9,18-19H2,1-4H3.
What are the key properties of 7-methoxy-9-[7-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)heptyl]-1-methylpyrido[3,4-b]indole?
7-methoxy-9-[7-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)heptyl]-1-methylpyrido[3,4-b]indole has a molecular weight of 520.68 g/mol, XLogP of 7.98, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-9-[7-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)heptyl]-1-methylpyrido[3,4-b]indole is sourced from PubChem (CID 71539420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).