1-methyl-9-[5-(1-methylpyrido[3,4-b]indol-9-yl)pentyl]pyrido[3,4-b]indole

C29H28N4 — CID 71539281

IUPAC1-methyl-9-[5-(1-methylpyrido[3,4-b]indol-9-yl)pentyl]pyrido[3,4-b]indole
SMILESCc1nccc2c3ccccc3n(CCCCCn3c4ccccc4c4ccnc(C)c43)c12
InChIInChI=1S/C29H28N4/c1-20-28-24(14-16-30-20)22-10-4-6-12-26(22)32(28)18-8-3-9-19-33-27-13-7-5-11-23(27)25-15-17-31-21(2)29(25)33/h4-7,10-17H,3,8-9,18-19H2,1-2H3
InChIKeyURNGBWOTWKUKPD-UHFFFAOYSA-N
MW432.57 g/mol
LogP7.18
Rot. Bonds6

About 1-methyl-9-[5-(1-methylpyrido[3,4-b]indol-9-yl)pentyl]pyrido[3,4-b]indole

1-methyl-9-[5-(1-methylpyrido[3,4-b]indol-9-yl)pentyl]pyrido[3,4-b]indole (PubChem CID 71539281) has the molecular formula C29H28N4 and a molecular weight of 432.57 g/mol. Its IUPAC name is 1-methyl-9-[5-(1-methylpyrido[3,4-b]indol-9-yl)pentyl]pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-methyl-9-[5-(1-methylpyrido[3,4-b]indol-9-yl)pentyl]pyrido[3,4-b]indole
PubChem CID71539281
Molecular FormulaC29H28N4
Molecular Weight432.57 g/mol
Exact Mass432.23
IUPAC Name1-methyl-9-[5-(1-methylpyrido[3,4-b]indol-9-yl)pentyl]pyrido[3,4-b]indole
SMILESCc1nccc2c3ccccc3n(CCCCCn3c4ccccc4c4ccnc(C)c43)c12
InChIInChI=1S/C29H28N4/c1-20-28-24(14-16-30-20)22-10-4-6-12-26(22)32(28)18-8-3-9-19-33-27-13-7-5-11-23(27)25-15-17-31-21(2)29(25)33/h4-7,10-17H,3,8-9,18-19H2,1-2H3
InChIKeyURNGBWOTWKUKPD-UHFFFAOYSA-N
XLogP7.18
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.57
LogP ≤ 57.18
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-[5-(1-methylpyrido[3,4-b]indol-9-yl)pentyl]pyrido[3,4-b]indole with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-9-[5-(1-methylpyrido[3,4-b]indol-9-yl)pentyl]pyrido[3,4-b]indole?
The IUPAC name of 1-methyl-9-[5-(1-methylpyrido[3,4-b]indol-9-yl)pentyl]pyrido[3,4-b]indole (CID 71539281) is 1-methyl-9-[5-(1-methylpyrido[3,4-b]indol-9-yl)pentyl]pyrido[3,4-b]indole.
What is the SMILES notation for 1-methyl-9-[5-(1-methylpyrido[3,4-b]indol-9-yl)pentyl]pyrido[3,4-b]indole?
The canonical SMILES for 1-methyl-9-[5-(1-methylpyrido[3,4-b]indol-9-yl)pentyl]pyrido[3,4-b]indole is Cc1nccc2c3ccccc3n(CCCCCn3c4ccccc4c4ccnc(C)c43)c12.
What is the InChIKey of 1-methyl-9-[5-(1-methylpyrido[3,4-b]indol-9-yl)pentyl]pyrido[3,4-b]indole?
The InChIKey is URNGBWOTWKUKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4/c1-20-28-24(14-16-30-20)22-10-4-6-12-26(22)32(28)18-8-3-9-19-33-27-13-7-5-11-23(27)25-15-17-31-21(2)29(25)33/h4-7,10-17H,3,8-9,18-19H2,1-2H3.
What are the key properties of 1-methyl-9-[5-(1-methylpyrido[3,4-b]indol-9-yl)pentyl]pyrido[3,4-b]indole?
1-methyl-9-[5-(1-methylpyrido[3,4-b]indol-9-yl)pentyl]pyrido[3,4-b]indole has a molecular weight of 432.57 g/mol, XLogP of 7.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9-[5-(1-methylpyrido[3,4-b]indol-9-yl)pentyl]pyrido[3,4-b]indole is sourced from PubChem (CID 71539281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).