bis(9H-carbazole);propane

C27H26N2 — CID 90987002

IUPACbis(9H-carbazole);propane
SMILESCCC.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/2C12H9N.C3H8/c2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-3-2/h2*1-8,13H;3H2,1-2H3
InChIKeyTVLILXCBLZBQPT-UHFFFAOYSA-N
MW378.52 g/mol
LogP8.06
Rot. Bonds

About bis(9H-carbazole);propane

bis(9H-carbazole);propane (PubChem CID 90987002) has the molecular formula C27H26N2 and a molecular weight of 378.52 g/mol. Its IUPAC name is bis(9H-carbazole);propane.

Molecular Properties

Compound Namebis(9H-carbazole);propane
PubChem CID90987002
Molecular FormulaC27H26N2
Molecular Weight378.52 g/mol
Exact Mass378.21
IUPAC Namebis(9H-carbazole);propane
SMILESCCC.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/2C12H9N.C3H8/c2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-3-2/h2*1-8,13H;3H2,1-2H3
InChIKeyTVLILXCBLZBQPT-UHFFFAOYSA-N
XLogP8.06
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 58.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

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9H-carbazole;ethanol;methanesulfonic acid
CID 174896622
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
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Frequently Asked Questions

What is the IUPAC name of bis(9H-carbazole);propane?
The IUPAC name of bis(9H-carbazole);propane (CID 90987002) is bis(9H-carbazole);propane.
What is the SMILES notation for bis(9H-carbazole);propane?
The canonical SMILES for bis(9H-carbazole);propane is CCC.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of bis(9H-carbazole);propane?
The InChIKey is TVLILXCBLZBQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H9N.C3H8/c2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-3-2/h2*1-8,13H;3H2,1-2H3.
What are the key properties of bis(9H-carbazole);propane?
bis(9H-carbazole);propane has a molecular weight of 378.52 g/mol, XLogP of 8.06, 0 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(9H-carbazole);propane is sourced from PubChem (CID 90987002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).