3,6-dimethyl-9H-carbazole

C28H26N2 — CID 144942624

IUPAC3,6-dimethyl-9H-carbazole
SMILESCc1ccc2[nH]c3ccc(C)cc3c2c1.Cc1ccc2[nH]c3ccc(C)cc3c2c1
InChIInChI=1S/2C14H13N/c2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13/h2*3-8,15H,1-2H3
InChIKeyRRNIOEKDRVTACE-UHFFFAOYSA-N
MW390.53 g/mol
LogP7.88
Rot. Bonds

About 3,6-dimethyl-9H-carbazole

3,6-dimethyl-9H-carbazole (PubChem CID 144942624) has the molecular formula C28H26N2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 3,6-dimethyl-9H-carbazole.

Molecular Properties

Compound Name3,6-dimethyl-9H-carbazole
PubChem CID144942624
Molecular FormulaC28H26N2
Molecular Weight390.53 g/mol
Exact Mass390.21
IUPAC Name3,6-dimethyl-9H-carbazole
SMILESCc1ccc2[nH]c3ccc(C)cc3c2c1.Cc1ccc2[nH]c3ccc(C)cc3c2c1
InChIInChI=1S/2C14H13N/c2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13/h2*3-8,15H,1-2H3
InChIKeyRRNIOEKDRVTACE-UHFFFAOYSA-N
XLogP7.88
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 57.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-9H-carbazole?
The IUPAC name of 3,6-dimethyl-9H-carbazole (CID 144942624) is 3,6-dimethyl-9H-carbazole.
What is the SMILES notation for 3,6-dimethyl-9H-carbazole?
The canonical SMILES for 3,6-dimethyl-9H-carbazole is Cc1ccc2[nH]c3ccc(C)cc3c2c1.Cc1ccc2[nH]c3ccc(C)cc3c2c1.
What is the InChIKey of 3,6-dimethyl-9H-carbazole?
The InChIKey is RRNIOEKDRVTACE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H13N/c2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13/h2*3-8,15H,1-2H3.
What are the key properties of 3,6-dimethyl-9H-carbazole?
3,6-dimethyl-9H-carbazole has a molecular weight of 390.53 g/mol, XLogP of 7.88, 0 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-9H-carbazole is sourced from PubChem (CID 144942624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).