6-ethyl-5,11-dimethyl-2-tetradecylpyrido[4,3-b]carbazol-2-ium-9-ol

C33H47N2O+ — CID 155806996

IUPAC6-ethyl-5,11-dimethyl-2-tetradecylpyrido[4,3-b]carbazol-2-ium-9-ol
SMILESCCCCCCCCCCCCCC[n+]1ccc2c(C)c3c(c(C)c2c1)c1cc(O)ccc1n3CC
InChIInChI=1S/C33H46N2O/c1-5-7-8-9-10-11-12-13-14-15-16-17-21-34-22-20-28-26(4)33-32(25(3)30(28)24-34)29-23-27(36)18-19-31(29)35(33)6-2/h18-20,22-24H,5-17,21H2,1-4H3/p+1
InChIKeyHRRGDZJIKQYAFA-UHFFFAOYSA-O
MW487.75 g/mol
LogP9.28
Rot. Bonds14

About 6-ethyl-5,11-dimethyl-2-tetradecylpyrido[4,3-b]carbazol-2-ium-9-ol

6-ethyl-5,11-dimethyl-2-tetradecylpyrido[4,3-b]carbazol-2-ium-9-ol (PubChem CID 155806996) has the molecular formula C33H47N2O+ and a molecular weight of 487.75 g/mol. Its IUPAC name is 6-ethyl-5,11-dimethyl-2-tetradecylpyrido[4,3-b]carbazol-2-ium-9-ol.

Molecular Properties

Compound Name6-ethyl-5,11-dimethyl-2-tetradecylpyrido[4,3-b]carbazol-2-ium-9-ol
PubChem CID155806996
Molecular FormulaC33H47N2O+
Molecular Weight487.75 g/mol
Exact Mass487.37
IUPAC Name6-ethyl-5,11-dimethyl-2-tetradecylpyrido[4,3-b]carbazol-2-ium-9-ol
SMILESCCCCCCCCCCCCCC[n+]1ccc2c(C)c3c(c(C)c2c1)c1cc(O)ccc1n3CC
InChIInChI=1S/C33H46N2O/c1-5-7-8-9-10-11-12-13-14-15-16-17-21-34-22-20-28-26(4)33-32(25(3)30(28)24-34)29-23-27(36)18-19-31(29)35(33)6-2/h18-20,22-24H,5-17,21H2,1-4H3/p+1
InChIKeyHRRGDZJIKQYAFA-UHFFFAOYSA-O
XLogP9.28
TPSA29.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.75
LogP ≤ 59.28
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5,11-dimethyl-2-tetradecylpyrido[4,3-b]carbazol-2-ium-9-ol?
The IUPAC name of 6-ethyl-5,11-dimethyl-2-tetradecylpyrido[4,3-b]carbazol-2-ium-9-ol (CID 155806996) is 6-ethyl-5,11-dimethyl-2-tetradecylpyrido[4,3-b]carbazol-2-ium-9-ol.
What is the SMILES notation for 6-ethyl-5,11-dimethyl-2-tetradecylpyrido[4,3-b]carbazol-2-ium-9-ol?
The canonical SMILES for 6-ethyl-5,11-dimethyl-2-tetradecylpyrido[4,3-b]carbazol-2-ium-9-ol is CCCCCCCCCCCCCC[n+]1ccc2c(C)c3c(c(C)c2c1)c1cc(O)ccc1n3CC.
What is the InChIKey of 6-ethyl-5,11-dimethyl-2-tetradecylpyrido[4,3-b]carbazol-2-ium-9-ol?
The InChIKey is HRRGDZJIKQYAFA-UHFFFAOYSA-O. The full InChI is InChI=1S/C33H46N2O/c1-5-7-8-9-10-11-12-13-14-15-16-17-21-34-22-20-28-26(4)33-32(25(3)30(28)24-34)29-23-27(36)18-19-31(29)35(33)6-2/h18-20,22-24H,5-17,21H2,1-4H3/p+1.
What are the key properties of 6-ethyl-5,11-dimethyl-2-tetradecylpyrido[4,3-b]carbazol-2-ium-9-ol?
6-ethyl-5,11-dimethyl-2-tetradecylpyrido[4,3-b]carbazol-2-ium-9-ol has a molecular weight of 487.75 g/mol, XLogP of 9.28, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5,11-dimethyl-2-tetradecylpyrido[4,3-b]carbazol-2-ium-9-ol is sourced from PubChem (CID 155806996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).