7-chloro-1,2,3,4-tetradeuterio-9H-carbazole

C12H8ClN — CID 170651952

IUPAC7-chloro-1,2,3,4-tetradeuterio-9H-carbazole
SMILES[2H]c1c([2H])c([2H])c2c([nH]c3cc(Cl)ccc32)c1[2H]
InChIInChI=1S/C12H8ClN/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1-7,14H/i1D,2D,3D,4D
InChIKeyLOQQFCPPDBFFSO-RHQRLBAQSA-N
MW205.68 g/mol
LogP3.97
Rot. Bonds

About 7-chloro-1,2,3,4-tetradeuterio-9H-carbazole

7-chloro-1,2,3,4-tetradeuterio-9H-carbazole (PubChem CID 170651952) has the molecular formula C12H8ClN and a molecular weight of 205.68 g/mol. Its IUPAC name is 7-chloro-1,2,3,4-tetradeuterio-9H-carbazole.

Molecular Properties

Compound Name7-chloro-1,2,3,4-tetradeuterio-9H-carbazole
PubChem CID170651952
Molecular FormulaC12H8ClN
Molecular Weight205.68 g/mol
Exact Mass205.06
IUPAC Name7-chloro-1,2,3,4-tetradeuterio-9H-carbazole
SMILES[2H]c1c([2H])c([2H])c2c([nH]c3cc(Cl)ccc32)c1[2H]
InChIInChI=1S/C12H8ClN/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1-7,14H/i1D,2D,3D,4D
InChIKeyLOQQFCPPDBFFSO-RHQRLBAQSA-N
XLogP3.97
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.68
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1,2,3,4-tetradeuterio-9H-carbazole?
The IUPAC name of 7-chloro-1,2,3,4-tetradeuterio-9H-carbazole (CID 170651952) is 7-chloro-1,2,3,4-tetradeuterio-9H-carbazole.
What is the SMILES notation for 7-chloro-1,2,3,4-tetradeuterio-9H-carbazole?
The canonical SMILES for 7-chloro-1,2,3,4-tetradeuterio-9H-carbazole is [2H]c1c([2H])c([2H])c2c([nH]c3cc(Cl)ccc32)c1[2H].
What is the InChIKey of 7-chloro-1,2,3,4-tetradeuterio-9H-carbazole?
The InChIKey is LOQQFCPPDBFFSO-RHQRLBAQSA-N. The full InChI is InChI=1S/C12H8ClN/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1-7,14H/i1D,2D,3D,4D.
What are the key properties of 7-chloro-1,2,3,4-tetradeuterio-9H-carbazole?
7-chloro-1,2,3,4-tetradeuterio-9H-carbazole has a molecular weight of 205.68 g/mol, XLogP of 3.97, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1,2,3,4-tetradeuterio-9H-carbazole is sourced from PubChem (CID 170651952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).