1-methyl-9-[10-(1-methylpyrido[3,4-b]indol-9-yl)decyl]pyrido[3,4-b]indole

C34H38N4 — CID 71539326

IUPAC1-methyl-9-[10-(1-methylpyrido[3,4-b]indol-9-yl)decyl]pyrido[3,4-b]indole
SMILESCc1nccc2c3ccccc3n(CCCCCCCCCCn3c4ccccc4c4ccnc(C)c43)c12
InChIInChI=1S/C34H38N4/c1-25-33-29(19-21-35-25)27-15-9-11-17-31(27)37(33)23-13-7-5-3-4-6-8-14-24-38-32-18-12-10-16-28(32)30-20-22-36-26(2)34(30)38/h9-12,15-22H,3-8,13-14,23-24H2,1-2H3
InChIKeyMNVSPAHVMJGQSB-UHFFFAOYSA-N
MW502.71 g/mol
LogP9.13
Rot. Bonds11

About 1-methyl-9-[10-(1-methylpyrido[3,4-b]indol-9-yl)decyl]pyrido[3,4-b]indole

1-methyl-9-[10-(1-methylpyrido[3,4-b]indol-9-yl)decyl]pyrido[3,4-b]indole (PubChem CID 71539326) has the molecular formula C34H38N4 and a molecular weight of 502.71 g/mol. Its IUPAC name is 1-methyl-9-[10-(1-methylpyrido[3,4-b]indol-9-yl)decyl]pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-methyl-9-[10-(1-methylpyrido[3,4-b]indol-9-yl)decyl]pyrido[3,4-b]indole
PubChem CID71539326
Molecular FormulaC34H38N4
Molecular Weight502.71 g/mol
Exact Mass502.31
IUPAC Name1-methyl-9-[10-(1-methylpyrido[3,4-b]indol-9-yl)decyl]pyrido[3,4-b]indole
SMILESCc1nccc2c3ccccc3n(CCCCCCCCCCn3c4ccccc4c4ccnc(C)c43)c12
InChIInChI=1S/C34H38N4/c1-25-33-29(19-21-35-25)27-15-9-11-17-31(27)37(33)23-13-7-5-3-4-6-8-14-24-38-32-18-12-10-16-28(32)30-20-22-36-26(2)34(30)38/h9-12,15-22H,3-8,13-14,23-24H2,1-2H3
InChIKeyMNVSPAHVMJGQSB-UHFFFAOYSA-N
XLogP9.13
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.71
LogP ≤ 59.13
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-[10-(1-methylpyrido[3,4-b]indol-9-yl)decyl]pyrido[3,4-b]indole?
The IUPAC name of 1-methyl-9-[10-(1-methylpyrido[3,4-b]indol-9-yl)decyl]pyrido[3,4-b]indole (CID 71539326) is 1-methyl-9-[10-(1-methylpyrido[3,4-b]indol-9-yl)decyl]pyrido[3,4-b]indole.
What is the SMILES notation for 1-methyl-9-[10-(1-methylpyrido[3,4-b]indol-9-yl)decyl]pyrido[3,4-b]indole?
The canonical SMILES for 1-methyl-9-[10-(1-methylpyrido[3,4-b]indol-9-yl)decyl]pyrido[3,4-b]indole is Cc1nccc2c3ccccc3n(CCCCCCCCCCn3c4ccccc4c4ccnc(C)c43)c12.
What is the InChIKey of 1-methyl-9-[10-(1-methylpyrido[3,4-b]indol-9-yl)decyl]pyrido[3,4-b]indole?
The InChIKey is MNVSPAHVMJGQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N4/c1-25-33-29(19-21-35-25)27-15-9-11-17-31(27)37(33)23-13-7-5-3-4-6-8-14-24-38-32-18-12-10-16-28(32)30-20-22-36-26(2)34(30)38/h9-12,15-22H,3-8,13-14,23-24H2,1-2H3.
What are the key properties of 1-methyl-9-[10-(1-methylpyrido[3,4-b]indol-9-yl)decyl]pyrido[3,4-b]indole?
1-methyl-9-[10-(1-methylpyrido[3,4-b]indol-9-yl)decyl]pyrido[3,4-b]indole has a molecular weight of 502.71 g/mol, XLogP of 9.13, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9-[10-(1-methylpyrido[3,4-b]indol-9-yl)decyl]pyrido[3,4-b]indole is sourced from PubChem (CID 71539326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).