9-[(2,5-dimethylphenyl)methyl]carbazole

C21H19N — CID 174908792

IUPAC9-[(2,5-dimethylphenyl)methyl]carbazole
SMILESCc1ccc(C)c(Cn2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C21H19N/c1-15-11-12-16(2)17(13-15)14-22-20-9-5-3-7-18(20)19-8-4-6-10-21(19)22/h3-13H,14H2,1-2H3
InChIKeyRDCGDBNYXBTJRD-UHFFFAOYSA-N
MW285.39 g/mol
LogP5.46
Rot. Bonds2

About 9-[(2,5-dimethylphenyl)methyl]carbazole

9-[(2,5-dimethylphenyl)methyl]carbazole (PubChem CID 174908792) has the molecular formula C21H19N and a molecular weight of 285.39 g/mol. Its IUPAC name is 9-[(2,5-dimethylphenyl)methyl]carbazole.

Molecular Properties

Compound Name9-[(2,5-dimethylphenyl)methyl]carbazole
PubChem CID174908792
Molecular FormulaC21H19N
Molecular Weight285.39 g/mol
Exact Mass285.15
IUPAC Name9-[(2,5-dimethylphenyl)methyl]carbazole
SMILESCc1ccc(C)c(Cn2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C21H19N/c1-15-11-12-16(2)17(13-15)14-22-20-9-5-3-7-18(20)19-8-4-6-10-21(19)22/h3-13H,14H2,1-2H3
InChIKeyRDCGDBNYXBTJRD-UHFFFAOYSA-N
XLogP5.46
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.39
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-[(2,5-dimethylphenyl)methyl]carbazole?
The IUPAC name of 9-[(2,5-dimethylphenyl)methyl]carbazole (CID 174908792) is 9-[(2,5-dimethylphenyl)methyl]carbazole.
What is the SMILES notation for 9-[(2,5-dimethylphenyl)methyl]carbazole?
The canonical SMILES for 9-[(2,5-dimethylphenyl)methyl]carbazole is Cc1ccc(C)c(Cn2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[(2,5-dimethylphenyl)methyl]carbazole?
The InChIKey is RDCGDBNYXBTJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N/c1-15-11-12-16(2)17(13-15)14-22-20-9-5-3-7-18(20)19-8-4-6-10-21(19)22/h3-13H,14H2,1-2H3.
What are the key properties of 9-[(2,5-dimethylphenyl)methyl]carbazole?
9-[(2,5-dimethylphenyl)methyl]carbazole has a molecular weight of 285.39 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2,5-dimethylphenyl)methyl]carbazole is sourced from PubChem (CID 174908792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).