2-methyl-5-[9-(2-methylpyrido[4,3-b]indol-2-ium-5-yl)nonyl]pyrido[4,3-b]indol-2-ium

C33H38N4+2 — CID 122186430

IUPAC2-methyl-5-[9-(2-methylpyrido[4,3-b]indol-2-ium-5-yl)nonyl]pyrido[4,3-b]indol-2-ium
SMILESC[n+]1ccc2c(c1)c1ccccc1n2CCCCCCCCCn1c2ccccc2c2c[n+](C)ccc21
InChIInChI=1S/C33H38N4/c1-34-22-18-32-28(24-34)26-14-8-10-16-30(26)36(32)20-12-6-4-3-5-7-13-21-37-31-17-11-9-15-27(31)29-25-35(2)23-19-33(29)37/h8-11,14-19,22-25H,3-7,12-13,20-21H2,1-2H3/q+2
InChIKeyZNNQFFKFWSWODG-UHFFFAOYSA-N
MW490.70 g/mol
LogP6.98
Rot. Bonds10

About 2-methyl-5-[9-(2-methylpyrido[4,3-b]indol-2-ium-5-yl)nonyl]pyrido[4,3-b]indol-2-ium

2-methyl-5-[9-(2-methylpyrido[4,3-b]indol-2-ium-5-yl)nonyl]pyrido[4,3-b]indol-2-ium (PubChem CID 122186430) has the molecular formula C33H38N4+2 and a molecular weight of 490.70 g/mol. Its IUPAC name is 2-methyl-5-[9-(2-methylpyrido[4,3-b]indol-2-ium-5-yl)nonyl]pyrido[4,3-b]indol-2-ium.

Molecular Properties

Compound Name2-methyl-5-[9-(2-methylpyrido[4,3-b]indol-2-ium-5-yl)nonyl]pyrido[4,3-b]indol-2-ium
PubChem CID122186430
Molecular FormulaC33H38N4+2
Molecular Weight490.70 g/mol
Exact Mass490.31
IUPAC Name2-methyl-5-[9-(2-methylpyrido[4,3-b]indol-2-ium-5-yl)nonyl]pyrido[4,3-b]indol-2-ium
SMILESC[n+]1ccc2c(c1)c1ccccc1n2CCCCCCCCCn1c2ccccc2c2c[n+](C)ccc21
InChIInChI=1S/C33H38N4/c1-34-22-18-32-28(24-34)26-14-8-10-16-30(26)36(32)20-12-6-4-3-5-7-13-21-37-31-17-11-9-15-27(31)29-25-35(2)23-19-33(29)37/h8-11,14-19,22-25H,3-7,12-13,20-21H2,1-2H3/q+2
InChIKeyZNNQFFKFWSWODG-UHFFFAOYSA-N
XLogP6.98
TPSA17.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.70
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-[9-(2-methylpyrido[3,4-b]indol-2-ium-9-yl)nonyl]pyrido[4,3-b]indol-2-ium iodide
CID 71680023
9-hexadecylcarbazole
CID 4166588
9-docosylcarbazole
CID 10528568
benzene;9-octylcarbazole
CID 175067369
9-(6-chlorohexyl)carbazole
CID 63465812
9-(6-iodohexyl)carbazole
CID 15110912
3-iodo-9-[6-(3-iodocarbazol-9-yl)hexyl]carbazole
CID 69197277
9-(4-carbazol-9-ylbutyl)-3,6-dimethylcarbazole
CID 58771349
9-(4-methylsulfanylbutyl)carbazole
CID 177244640
9-(4-pyrrol-1-ylbutyl)carbazole
CID 14745805
2-benzyl-9-hexylpyrido[3,4-b]indol-2-ium
CID 71739540
9-(3-chloropropyl)carbazole
CID 14737436

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[9-(2-methylpyrido[4,3-b]indol-2-ium-5-yl)nonyl]pyrido[4,3-b]indol-2-ium?
The IUPAC name of 2-methyl-5-[9-(2-methylpyrido[4,3-b]indol-2-ium-5-yl)nonyl]pyrido[4,3-b]indol-2-ium (CID 122186430) is 2-methyl-5-[9-(2-methylpyrido[4,3-b]indol-2-ium-5-yl)nonyl]pyrido[4,3-b]indol-2-ium.
What is the SMILES notation for 2-methyl-5-[9-(2-methylpyrido[4,3-b]indol-2-ium-5-yl)nonyl]pyrido[4,3-b]indol-2-ium?
The canonical SMILES for 2-methyl-5-[9-(2-methylpyrido[4,3-b]indol-2-ium-5-yl)nonyl]pyrido[4,3-b]indol-2-ium is C[n+]1ccc2c(c1)c1ccccc1n2CCCCCCCCCn1c2ccccc2c2c[n+](C)ccc21.
What is the InChIKey of 2-methyl-5-[9-(2-methylpyrido[4,3-b]indol-2-ium-5-yl)nonyl]pyrido[4,3-b]indol-2-ium?
The InChIKey is ZNNQFFKFWSWODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N4/c1-34-22-18-32-28(24-34)26-14-8-10-16-30(26)36(32)20-12-6-4-3-5-7-13-21-37-31-17-11-9-15-27(31)29-25-35(2)23-19-33(29)37/h8-11,14-19,22-25H,3-7,12-13,20-21H2,1-2H3/q+2.
What are the key properties of 2-methyl-5-[9-(2-methylpyrido[4,3-b]indol-2-ium-5-yl)nonyl]pyrido[4,3-b]indol-2-ium?
2-methyl-5-[9-(2-methylpyrido[4,3-b]indol-2-ium-5-yl)nonyl]pyrido[4,3-b]indol-2-ium has a molecular weight of 490.70 g/mol, XLogP of 6.98, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[9-(2-methylpyrido[4,3-b]indol-2-ium-5-yl)nonyl]pyrido[4,3-b]indol-2-ium is sourced from PubChem (CID 122186430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).