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

C32H34N4 — CID 71539374

IUPAC1-methyl-9-[8-(1-methylpyrido[3,4-b]indol-9-yl)octyl]pyrido[3,4-b]indole
SMILESCc1nccc2c3ccccc3n(CCCCCCCCn3c4ccccc4c4ccnc(C)c43)c12
InChIInChI=1S/C32H34N4/c1-23-31-27(17-19-33-23)25-13-7-9-15-29(25)35(31)21-11-5-3-4-6-12-22-36-30-16-10-8-14-26(30)28-18-20-34-24(2)32(28)36/h7-10,13-20H,3-6,11-12,21-22H2,1-2H3
InChIKeyCPJGULUOGLDFAM-UHFFFAOYSA-N
MW474.65 g/mol
LogP8.35
Rot. Bonds9

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

1-methyl-9-[8-(1-methylpyrido[3,4-b]indol-9-yl)octyl]pyrido[3,4-b]indole (PubChem CID 71539374) has the molecular formula C32H34N4 and a molecular weight of 474.65 g/mol. Its IUPAC name is 1-methyl-9-[8-(1-methylpyrido[3,4-b]indol-9-yl)octyl]pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-methyl-9-[8-(1-methylpyrido[3,4-b]indol-9-yl)octyl]pyrido[3,4-b]indole
PubChem CID71539374
Molecular FormulaC32H34N4
Molecular Weight474.65 g/mol
Exact Mass474.28
IUPAC Name1-methyl-9-[8-(1-methylpyrido[3,4-b]indol-9-yl)octyl]pyrido[3,4-b]indole
SMILESCc1nccc2c3ccccc3n(CCCCCCCCn3c4ccccc4c4ccnc(C)c43)c12
InChIInChI=1S/C32H34N4/c1-23-31-27(17-19-33-23)25-13-7-9-15-29(25)35(31)21-11-5-3-4-6-12-22-36-30-16-10-8-14-26(30)28-18-20-34-24(2)32(28)36/h7-10,13-20H,3-6,11-12,21-22H2,1-2H3
InChIKeyCPJGULUOGLDFAM-UHFFFAOYSA-N
XLogP8.35
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.65
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-methyl-9-[8-(1-methylpyrido[3,4-b]indol-9-yl)octyl]pyrido[3,4-b]indole with MolForge

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Related Compounds

Beta-Carboline
CID 64961
Latrepirdine
CID 197033
Harman
CID 5281404
3-Methyl-9h-pyrido[3,4-b]indole
CID 13315103
9H-Pyrido(3,4-b)indole, 1-methyl-, hydrochloride (1:1)
CID 5487918
Decussine
CID 156336
Eudistomin U
CID 10334023
Usambarensine
CID 5281413
Biscryptolepine
CID 10457065
9-(4'-Aminophenyl)-9H-pyrido(3,4-b)indole
CID 154224
NOP agonist-2
CID 129188443
9-Mono-N'-methylnorharman
CID 3036890

Frequently Asked Questions

What is the IUPAC name of 1-methyl-9-[8-(1-methylpyrido[3,4-b]indol-9-yl)octyl]pyrido[3,4-b]indole?
The IUPAC name of 1-methyl-9-[8-(1-methylpyrido[3,4-b]indol-9-yl)octyl]pyrido[3,4-b]indole (CID 71539374) is 1-methyl-9-[8-(1-methylpyrido[3,4-b]indol-9-yl)octyl]pyrido[3,4-b]indole.
What is the SMILES notation for 1-methyl-9-[8-(1-methylpyrido[3,4-b]indol-9-yl)octyl]pyrido[3,4-b]indole?
The canonical SMILES for 1-methyl-9-[8-(1-methylpyrido[3,4-b]indol-9-yl)octyl]pyrido[3,4-b]indole is Cc1nccc2c3ccccc3n(CCCCCCCCn3c4ccccc4c4ccnc(C)c43)c12.
What is the InChIKey of 1-methyl-9-[8-(1-methylpyrido[3,4-b]indol-9-yl)octyl]pyrido[3,4-b]indole?
The InChIKey is CPJGULUOGLDFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4/c1-23-31-27(17-19-33-23)25-13-7-9-15-29(25)35(31)21-11-5-3-4-6-12-22-36-30-16-10-8-14-26(30)28-18-20-34-24(2)32(28)36/h7-10,13-20H,3-6,11-12,21-22H2,1-2H3.
What are the key properties of 1-methyl-9-[8-(1-methylpyrido[3,4-b]indol-9-yl)octyl]pyrido[3,4-b]indole?
1-methyl-9-[8-(1-methylpyrido[3,4-b]indol-9-yl)octyl]pyrido[3,4-b]indole has a molecular weight of 474.65 g/mol, XLogP of 8.35, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9-[8-(1-methylpyrido[3,4-b]indol-9-yl)octyl]pyrido[3,4-b]indole is sourced from PubChem (CID 71539374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).