7-methoxy-9-[8-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)octyl]-1-methylpyrido[3,4-b]indole

C34H38N4O2 — CID 71539468

IUPAC7-methoxy-9-[8-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)octyl]-1-methylpyrido[3,4-b]indole
SMILESCOc1ccc2c3ccnc(C)c3n(CCCCCCCCn3c4cc(OC)ccc4c4ccnc(C)c43)c2c1
InChIInChI=1S/C34H38N4O2/c1-23-33-29(15-17-35-23)27-13-11-25(39-3)21-31(27)37(33)19-9-7-5-6-8-10-20-38-32-22-26(40-4)12-14-28(32)30-16-18-36-24(2)34(30)38/h11-18,21-22H,5-10,19-20H2,1-4H3
InChIKeyQKOIJMQRKPIERB-UHFFFAOYSA-N
MW534.70 g/mol
LogP8.37
Rot. Bonds11

About 7-methoxy-9-[8-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)octyl]-1-methylpyrido[3,4-b]indole

7-methoxy-9-[8-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)octyl]-1-methylpyrido[3,4-b]indole (PubChem CID 71539468) has the molecular formula C34H38N4O2 and a molecular weight of 534.70 g/mol. Its IUPAC name is 7-methoxy-9-[8-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)octyl]-1-methylpyrido[3,4-b]indole.

Molecular Properties

Compound Name7-methoxy-9-[8-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)octyl]-1-methylpyrido[3,4-b]indole
PubChem CID71539468
Molecular FormulaC34H38N4O2
Molecular Weight534.70 g/mol
Exact Mass534.30
IUPAC Name7-methoxy-9-[8-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)octyl]-1-methylpyrido[3,4-b]indole
SMILESCOc1ccc2c3ccnc(C)c3n(CCCCCCCCn3c4cc(OC)ccc4c4ccnc(C)c43)c2c1
InChIInChI=1S/C34H38N4O2/c1-23-33-29(15-17-35-23)27-13-11-25(39-3)21-31(27)37(33)19-9-7-5-6-8-10-20-38-32-22-26(40-4)12-14-28(32)30-16-18-36-24(2)34(30)38/h11-18,21-22H,5-10,19-20H2,1-4H3
InChIKeyQKOIJMQRKPIERB-UHFFFAOYSA-N
XLogP8.37
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.70
LogP ≤ 58.37
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-[8-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)octyl]-1-methylpyrido[3,4-b]indole?
The IUPAC name of 7-methoxy-9-[8-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)octyl]-1-methylpyrido[3,4-b]indole (CID 71539468) is 7-methoxy-9-[8-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)octyl]-1-methylpyrido[3,4-b]indole.
What is the SMILES notation for 7-methoxy-9-[8-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)octyl]-1-methylpyrido[3,4-b]indole?
The canonical SMILES for 7-methoxy-9-[8-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)octyl]-1-methylpyrido[3,4-b]indole is COc1ccc2c3ccnc(C)c3n(CCCCCCCCn3c4cc(OC)ccc4c4ccnc(C)c43)c2c1.
What is the InChIKey of 7-methoxy-9-[8-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)octyl]-1-methylpyrido[3,4-b]indole?
The InChIKey is QKOIJMQRKPIERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N4O2/c1-23-33-29(15-17-35-23)27-13-11-25(39-3)21-31(27)37(33)19-9-7-5-6-8-10-20-38-32-22-26(40-4)12-14-28(32)30-16-18-36-24(2)34(30)38/h11-18,21-22H,5-10,19-20H2,1-4H3.
What are the key properties of 7-methoxy-9-[8-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)octyl]-1-methylpyrido[3,4-b]indole?
7-methoxy-9-[8-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)octyl]-1-methylpyrido[3,4-b]indole has a molecular weight of 534.70 g/mol, XLogP of 8.37, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-9-[8-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)octyl]-1-methylpyrido[3,4-b]indole is sourced from PubChem (CID 71539468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).