9-[1-methyl-6-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]carbazole

C26H23N — CID 67374079

IUPAC9-[1-methyl-6-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]carbazole
SMILESCc1ccccc1C1C=CC=CC1(C)n1c2ccccc2c2ccccc21
InChIInChI=1S/C26H23N/c1-19-11-3-4-12-20(19)23-15-9-10-18-26(23,2)27-24-16-7-5-13-21(24)22-14-6-8-17-25(22)27/h3-18,23H,1-2H3
InChIKeyAWMTZOQCJYZCDF-UHFFFAOYSA-N
MW349.48 g/mol
LogP6.73
Rot. Bonds2

About 9-[1-methyl-6-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]carbazole

9-[1-methyl-6-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]carbazole (PubChem CID 67374079) has the molecular formula C26H23N and a molecular weight of 349.48 g/mol. Its IUPAC name is 9-[1-methyl-6-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]carbazole.

Molecular Properties

Compound Name9-[1-methyl-6-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]carbazole
PubChem CID67374079
Molecular FormulaC26H23N
Molecular Weight349.48 g/mol
Exact Mass349.18
IUPAC Name9-[1-methyl-6-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]carbazole
SMILESCc1ccccc1C1C=CC=CC1(C)n1c2ccccc2c2ccccc21
InChIInChI=1S/C26H23N/c1-19-11-3-4-12-20(19)23-15-9-10-18-26(23,2)27-24-16-7-5-13-21(24)22-14-6-8-17-25(22)27/h3-18,23H,1-2H3
InChIKeyAWMTZOQCJYZCDF-UHFFFAOYSA-N
XLogP6.73
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.48
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-[1-methyl-6-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]carbazole?
The IUPAC name of 9-[1-methyl-6-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]carbazole (CID 67374079) is 9-[1-methyl-6-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]carbazole.
What is the SMILES notation for 9-[1-methyl-6-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]carbazole?
The canonical SMILES for 9-[1-methyl-6-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]carbazole is Cc1ccccc1C1C=CC=CC1(C)n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[1-methyl-6-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]carbazole?
The InChIKey is AWMTZOQCJYZCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N/c1-19-11-3-4-12-20(19)23-15-9-10-18-26(23,2)27-24-16-7-5-13-21(24)22-14-6-8-17-25(22)27/h3-18,23H,1-2H3.
What are the key properties of 9-[1-methyl-6-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]carbazole?
9-[1-methyl-6-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]carbazole has a molecular weight of 349.48 g/mol, XLogP of 6.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-methyl-6-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]carbazole is sourced from PubChem (CID 67374079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).