2-dodecyl-9H-carbazole

C24H33N — CID 21248548

IUPAC2-dodecyl-9H-carbazole
SMILESCCCCCCCCCCCCc1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C24H33N/c1-2-3-4-5-6-7-8-9-10-11-14-20-17-18-22-21-15-12-13-16-23(21)25-24(22)19-20/h12-13,15-19,25H,2-11,14H2,1H3
InChIKeyPMKFUFURAADBFJ-UHFFFAOYSA-N
MW335.54 g/mol
LogP7.78
Rot. Bonds11

About 2-dodecyl-9H-carbazole

2-dodecyl-9H-carbazole (PubChem CID 21248548) has the molecular formula C24H33N and a molecular weight of 335.54 g/mol. Its IUPAC name is 2-dodecyl-9H-carbazole.

Molecular Properties

Compound Name2-dodecyl-9H-carbazole
PubChem CID21248548
Molecular FormulaC24H33N
Molecular Weight335.54 g/mol
Exact Mass335.26
IUPAC Name2-dodecyl-9H-carbazole
SMILESCCCCCCCCCCCCc1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C24H33N/c1-2-3-4-5-6-7-8-9-10-11-14-20-17-18-22-21-15-12-13-16-23(21)25-24(22)19-20/h12-13,15-19,25H,2-11,14H2,1H3
InChIKeyPMKFUFURAADBFJ-UHFFFAOYSA-N
XLogP7.78
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.54
LogP ≤ 57.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

10-tetradecyl-7H-benzo[c]carbazole
CID 4557971
3-[2-(9H-carbazol-3-yl)ethyl]-9H-carbazole
CID 123609825
6,15-dihexylpentacyclo[10.6.0.03,10.04,9.013,18]octadeca-1,3(10),4(9),5,7,11,13(18),14,16-nonaene
CID 162784810
3-(3-bromopropyl)-9H-carbazole
CID 174889385
18,33-di(nonyl)dodecacyclo[24.16.0.02,7.03,40.06,11.08,25.09,22.010,15.016,21.029,42.030,35.036,41]dotetraconta-1(26),2,4,6,8(25),9(22),10,12,14,16(21),17,19,23,27,29(42),30(35),31,33,36,38,40-henicosaene
CID 177490465
bis(9H-carbazole);propane
CID 90987002
2-butyl-4-phenyl-9H-carbazole
CID 71762272
2-tridecyl-[1]benzothiolo[3,2-b][1]benzothiole
CID 67980792
1,3-di(tetradecyl)benzene
CID 91053224
2-heptyl-1H-quinolin-4-one
CID 172676764
2-heptyl-1H-quinolin-4-one
CID 172676765
2-octylanthracene
CID 23131226

Frequently Asked Questions

What is the IUPAC name of 2-dodecyl-9H-carbazole?
The IUPAC name of 2-dodecyl-9H-carbazole (CID 21248548) is 2-dodecyl-9H-carbazole.
What is the SMILES notation for 2-dodecyl-9H-carbazole?
The canonical SMILES for 2-dodecyl-9H-carbazole is CCCCCCCCCCCCc1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of 2-dodecyl-9H-carbazole?
The InChIKey is PMKFUFURAADBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N/c1-2-3-4-5-6-7-8-9-10-11-14-20-17-18-22-21-15-12-13-16-23(21)25-24(22)19-20/h12-13,15-19,25H,2-11,14H2,1H3.
What are the key properties of 2-dodecyl-9H-carbazole?
2-dodecyl-9H-carbazole has a molecular weight of 335.54 g/mol, XLogP of 7.78, 11 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecyl-9H-carbazole is sourced from PubChem (CID 21248548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).