9H-carbazole;ethane

C16H21N — CID 91098062

IUPAC9H-carbazole;ethane
SMILESCC.CC.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C12H9N.2C2H6/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;2*1-2/h1-8,13H;2*1-2H3
InChIKeyDSQJTPDOXCEVHD-UHFFFAOYSA-N
MW227.35 g/mol
LogP5.37
Rot. Bonds

About 9H-carbazole;ethane

9H-carbazole;ethane (PubChem CID 91098062) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 9H-carbazole;ethane.

Molecular Properties

Compound Name9H-carbazole;ethane
PubChem CID91098062
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name9H-carbazole;ethane
SMILESCC.CC.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C12H9N.2C2H6/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;2*1-2/h1-8,13H;2*1-2H3
InChIKeyDSQJTPDOXCEVHD-UHFFFAOYSA-N
XLogP5.37
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500227.35
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

bis(9H-carbazole);ethane
CID 145072085
9H-carbazole
CID 66668984
bromomethane;9H-carbazole
CID 67594562
9H-carbazole;copper
CID 159878189
bis(9H-carbazole);platinum(2+)
CID 175826437
bis(9H-carbazole);propane
CID 90987002
10H-acridin-9-one;ethane
CID 91525380
7,17,24,34-tetrazanonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1(20),2,4(16),5,8,10,12,14,18,21(33),22,25,27,29,31-pentadecaene
CID 58471811
9H-carbazole;carbonic acid
CID 67577328
ethane;5H-pyrido[4,3-b]indole
CID 176987523
9H-carbazole;methanedithioic acid
CID 158299126
9H-carbazole;sulfuryl dichloride
CID 158008992

Frequently Asked Questions

What is the IUPAC name of 9H-carbazole;ethane?
The IUPAC name of 9H-carbazole;ethane (CID 91098062) is 9H-carbazole;ethane.
What is the SMILES notation for 9H-carbazole;ethane?
The canonical SMILES for 9H-carbazole;ethane is CC.CC.c1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of 9H-carbazole;ethane?
The InChIKey is DSQJTPDOXCEVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N.2C2H6/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;2*1-2/h1-8,13H;2*1-2H3.
What are the key properties of 9H-carbazole;ethane?
9H-carbazole;ethane has a molecular weight of 227.35 g/mol, XLogP of 5.37, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-carbazole;ethane is sourced from PubChem (CID 91098062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).