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

C33H36N4 — CID 71539327

IUPAC1-methyl-9-[9-(1-methylpyrido[3,4-b]indol-9-yl)nonyl]pyrido[3,4-b]indole
SMILESCc1nccc2c3ccccc3n(CCCCCCCCCn3c4ccccc4c4ccnc(C)c43)c12
InChIInChI=1S/C33H36N4/c1-24-32-28(18-20-34-24)26-14-8-10-16-30(26)36(32)22-12-6-4-3-5-7-13-23-37-31-17-11-9-15-27(31)29-19-21-35-25(2)33(29)37/h8-11,14-21H,3-7,12-13,22-23H2,1-2H3
InChIKeyNAIIWMHRAXDNAC-UHFFFAOYSA-N
MW488.68 g/mol
LogP8.74
Rot. Bonds10

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

1-methyl-9-[9-(1-methylpyrido[3,4-b]indol-9-yl)nonyl]pyrido[3,4-b]indole (PubChem CID 71539327) has the molecular formula C33H36N4 and a molecular weight of 488.68 g/mol. Its IUPAC name is 1-methyl-9-[9-(1-methylpyrido[3,4-b]indol-9-yl)nonyl]pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-methyl-9-[9-(1-methylpyrido[3,4-b]indol-9-yl)nonyl]pyrido[3,4-b]indole
PubChem CID71539327
Molecular FormulaC33H36N4
Molecular Weight488.68 g/mol
Exact Mass488.29
IUPAC Name1-methyl-9-[9-(1-methylpyrido[3,4-b]indol-9-yl)nonyl]pyrido[3,4-b]indole
SMILESCc1nccc2c3ccccc3n(CCCCCCCCCn3c4ccccc4c4ccnc(C)c43)c12
InChIInChI=1S/C33H36N4/c1-24-32-28(18-20-34-24)26-14-8-10-16-30(26)36(32)22-12-6-4-3-5-7-13-23-37-31-17-11-9-15-27(31)29-19-21-35-25(2)33(29)37/h8-11,14-21H,3-7,12-13,22-23H2,1-2H3
InChIKeyNAIIWMHRAXDNAC-UHFFFAOYSA-N
XLogP8.74
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.68
LogP ≤ 58.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1-methyl-9-[9-(1-methylpyrido[3,4-b]indol-9-yl)nonyl]pyrido[3,4-b]indole?
The IUPAC name of 1-methyl-9-[9-(1-methylpyrido[3,4-b]indol-9-yl)nonyl]pyrido[3,4-b]indole (CID 71539327) is 1-methyl-9-[9-(1-methylpyrido[3,4-b]indol-9-yl)nonyl]pyrido[3,4-b]indole.
What is the SMILES notation for 1-methyl-9-[9-(1-methylpyrido[3,4-b]indol-9-yl)nonyl]pyrido[3,4-b]indole?
The canonical SMILES for 1-methyl-9-[9-(1-methylpyrido[3,4-b]indol-9-yl)nonyl]pyrido[3,4-b]indole is Cc1nccc2c3ccccc3n(CCCCCCCCCn3c4ccccc4c4ccnc(C)c43)c12.
What is the InChIKey of 1-methyl-9-[9-(1-methylpyrido[3,4-b]indol-9-yl)nonyl]pyrido[3,4-b]indole?
The InChIKey is NAIIWMHRAXDNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N4/c1-24-32-28(18-20-34-24)26-14-8-10-16-30(26)36(32)22-12-6-4-3-5-7-13-23-37-31-17-11-9-15-27(31)29-19-21-35-25(2)33(29)37/h8-11,14-21H,3-7,12-13,22-23H2,1-2H3.
What are the key properties of 1-methyl-9-[9-(1-methylpyrido[3,4-b]indol-9-yl)nonyl]pyrido[3,4-b]indole?
1-methyl-9-[9-(1-methylpyrido[3,4-b]indol-9-yl)nonyl]pyrido[3,4-b]indole has a molecular weight of 488.68 g/mol, XLogP of 8.74, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9-[9-(1-methylpyrido[3,4-b]indol-9-yl)nonyl]pyrido[3,4-b]indole is sourced from PubChem (CID 71539327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).