8-methoxy-5-[9-(8-methoxypyrido[4,3-b]indol-5-yl)nonyl]pyrido[4,3-b]indole

C33H36N4O2 — CID 122186422

IUPAC8-methoxy-5-[9-(8-methoxypyrido[4,3-b]indol-5-yl)nonyl]pyrido[4,3-b]indole
SMILESCOc1ccc2c(c1)c1cnccc1n2CCCCCCCCCn1c2ccncc2c2cc(OC)ccc21
InChIInChI=1S/C33H36N4O2/c1-38-24-10-12-30-26(20-24)28-22-34-16-14-32(28)36(30)18-8-6-4-3-5-7-9-19-37-31-13-11-25(39-2)21-27(31)29-23-35-17-15-33(29)37/h10-17,20-23H,3-9,18-19H2,1-2H3
InChIKeyUHWJIWJJNDGXLH-UHFFFAOYSA-N
MW520.68 g/mol
LogP8.14
Rot. Bonds12

About 8-methoxy-5-[9-(8-methoxypyrido[4,3-b]indol-5-yl)nonyl]pyrido[4,3-b]indole

8-methoxy-5-[9-(8-methoxypyrido[4,3-b]indol-5-yl)nonyl]pyrido[4,3-b]indole (PubChem CID 122186422) has the molecular formula C33H36N4O2 and a molecular weight of 520.68 g/mol. Its IUPAC name is 8-methoxy-5-[9-(8-methoxypyrido[4,3-b]indol-5-yl)nonyl]pyrido[4,3-b]indole.

Molecular Properties

Compound Name8-methoxy-5-[9-(8-methoxypyrido[4,3-b]indol-5-yl)nonyl]pyrido[4,3-b]indole
PubChem CID122186422
Molecular FormulaC33H36N4O2
Molecular Weight520.68 g/mol
Exact Mass520.28
IUPAC Name8-methoxy-5-[9-(8-methoxypyrido[4,3-b]indol-5-yl)nonyl]pyrido[4,3-b]indole
SMILESCOc1ccc2c(c1)c1cnccc1n2CCCCCCCCCn1c2ccncc2c2cc(OC)ccc21
InChIInChI=1S/C33H36N4O2/c1-38-24-10-12-30-26(20-24)28-22-34-16-14-32(28)36(30)18-8-6-4-3-5-7-9-19-37-31-13-11-25(39-2)21-27(31)29-23-35-17-15-33(29)37/h10-17,20-23H,3-9,18-19H2,1-2H3
InChIKeyUHWJIWJJNDGXLH-UHFFFAOYSA-N
XLogP8.14
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.68
LogP ≤ 58.14
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 8-methoxy-5-[9-(8-methoxypyrido[4,3-b]indol-5-yl)nonyl]pyrido[4,3-b]indole?
The IUPAC name of 8-methoxy-5-[9-(8-methoxypyrido[4,3-b]indol-5-yl)nonyl]pyrido[4,3-b]indole (CID 122186422) is 8-methoxy-5-[9-(8-methoxypyrido[4,3-b]indol-5-yl)nonyl]pyrido[4,3-b]indole.
What is the SMILES notation for 8-methoxy-5-[9-(8-methoxypyrido[4,3-b]indol-5-yl)nonyl]pyrido[4,3-b]indole?
The canonical SMILES for 8-methoxy-5-[9-(8-methoxypyrido[4,3-b]indol-5-yl)nonyl]pyrido[4,3-b]indole is COc1ccc2c(c1)c1cnccc1n2CCCCCCCCCn1c2ccncc2c2cc(OC)ccc21.
What is the InChIKey of 8-methoxy-5-[9-(8-methoxypyrido[4,3-b]indol-5-yl)nonyl]pyrido[4,3-b]indole?
The InChIKey is UHWJIWJJNDGXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N4O2/c1-38-24-10-12-30-26(20-24)28-22-34-16-14-32(28)36(30)18-8-6-4-3-5-7-9-19-37-31-13-11-25(39-2)21-27(31)29-23-35-17-15-33(29)37/h10-17,20-23H,3-9,18-19H2,1-2H3.
What are the key properties of 8-methoxy-5-[9-(8-methoxypyrido[4,3-b]indol-5-yl)nonyl]pyrido[4,3-b]indole?
8-methoxy-5-[9-(8-methoxypyrido[4,3-b]indol-5-yl)nonyl]pyrido[4,3-b]indole has a molecular weight of 520.68 g/mol, XLogP of 8.14, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5-[9-(8-methoxypyrido[4,3-b]indol-5-yl)nonyl]pyrido[4,3-b]indole is sourced from PubChem (CID 122186422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).