1-chloro-3,6-dimethyl-9H-carbazole

C14H12ClN — CID 174314278

IUPAC1-chloro-3,6-dimethyl-9H-carbazole
SMILESCc1ccc2[nH]c3c(Cl)cc(C)cc3c2c1
InChIInChI=1S/C14H12ClN/c1-8-3-4-13-10(5-8)11-6-9(2)7-12(15)14(11)16-13/h3-7,16H,1-2H3
InChIKeyKYCCFQMGMBPQDJ-UHFFFAOYSA-N
MW229.71 g/mol
LogP4.59
Rot. Bonds

About 1-chloro-3,6-dimethyl-9H-carbazole

1-chloro-3,6-dimethyl-9H-carbazole (PubChem CID 174314278) has the molecular formula C14H12ClN and a molecular weight of 229.71 g/mol. Its IUPAC name is 1-chloro-3,6-dimethyl-9H-carbazole.

Molecular Properties

Compound Name1-chloro-3,6-dimethyl-9H-carbazole
PubChem CID174314278
Molecular FormulaC14H12ClN
Molecular Weight229.71 g/mol
Exact Mass229.07
IUPAC Name1-chloro-3,6-dimethyl-9H-carbazole
SMILESCc1ccc2[nH]c3c(Cl)cc(C)cc3c2c1
InChIInChI=1S/C14H12ClN/c1-8-3-4-13-10(5-8)11-6-9(2)7-12(15)14(11)16-13/h3-7,16H,1-2H3
InChIKeyKYCCFQMGMBPQDJ-UHFFFAOYSA-N
XLogP4.59
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3,6-dimethyl-9H-carbazole?
The IUPAC name of 1-chloro-3,6-dimethyl-9H-carbazole (CID 174314278) is 1-chloro-3,6-dimethyl-9H-carbazole.
What is the SMILES notation for 1-chloro-3,6-dimethyl-9H-carbazole?
The canonical SMILES for 1-chloro-3,6-dimethyl-9H-carbazole is Cc1ccc2[nH]c3c(Cl)cc(C)cc3c2c1.
What is the InChIKey of 1-chloro-3,6-dimethyl-9H-carbazole?
The InChIKey is KYCCFQMGMBPQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN/c1-8-3-4-13-10(5-8)11-6-9(2)7-12(15)14(11)16-13/h3-7,16H,1-2H3.
What are the key properties of 1-chloro-3,6-dimethyl-9H-carbazole?
1-chloro-3,6-dimethyl-9H-carbazole has a molecular weight of 229.71 g/mol, XLogP of 4.59, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3,6-dimethyl-9H-carbazole is sourced from PubChem (CID 174314278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).