1-[7-methyl-1-(4-methylphenyl)carbazol-9-yl]ethanone

C22H19NO — CID 102291757

IUPAC1-[7-methyl-1-(4-methylphenyl)carbazol-9-yl]ethanone
SMILESCC(=O)n1c2cc(C)ccc2c2cccc(-c3ccc(C)cc3)c21
InChIInChI=1S/C22H19NO/c1-14-7-10-17(11-8-14)18-5-4-6-20-19-12-9-15(2)13-21(19)23(16(3)24)22(18)20/h4-13H,1-3H3
InChIKeyXXTAMZOJGPIGLZ-UHFFFAOYSA-N
MW313.40 g/mol
LogP5.74
Rot. Bonds1

About 1-[7-methyl-1-(4-methylphenyl)carbazol-9-yl]ethanone

1-[7-methyl-1-(4-methylphenyl)carbazol-9-yl]ethanone (PubChem CID 102291757) has the molecular formula C22H19NO and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[7-methyl-1-(4-methylphenyl)carbazol-9-yl]ethanone.

Molecular Properties

Compound Name1-[7-methyl-1-(4-methylphenyl)carbazol-9-yl]ethanone
PubChem CID102291757
Molecular FormulaC22H19NO
Molecular Weight313.40 g/mol
Exact Mass313.15
IUPAC Name1-[7-methyl-1-(4-methylphenyl)carbazol-9-yl]ethanone
SMILESCC(=O)n1c2cc(C)ccc2c2cccc(-c3ccc(C)cc3)c21
InChIInChI=1S/C22H19NO/c1-14-7-10-17(11-8-14)18-5-4-6-20-19-12-9-15(2)13-21(19)23(16(3)24)22(18)20/h4-13H,1-3H3
InChIKeyXXTAMZOJGPIGLZ-UHFFFAOYSA-N
XLogP5.74
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.40
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7,9-dimethyl-1-phenylcarbazole
CID 118392012
1-(3-tert-butyl-1-phenylcarbazol-9-yl)ethanone
CID 102291766
4-(6-methylnaphthalen-1-yl)benzoic acid
CID 139920032
1-[2,7-bis(1H-indol-3-yl)carbazol-9-yl]ethanone
CID 174779450
2-methoxy-1-(1-phenylcarbazol-9-yl)ethanone
CID 102291764
1-methyl-6,9-diphenylcarbazole;2-methyl-6,9-diphenylcarbazole;3-methyl-6,9-diphenylcarbazole;5-methyl-3,9-diphenylcarbazole;1-(4-methylphenyl)-9-phenylcarbazole
CID 160931079
1-(3,5-ditert-butylphenyl)carbazole-9-carboxamide
CID 175352867
6-methyl-1-phenyl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170365229
1-carbazol-9-ylethanone;ethane
CID 142183368
N-[2,6-bis(4-methylphenyl)phenyl]acetamide
CID 11278492
1-(2,7-dibromocarbazol-9-yl)ethanone
CID 58556563
5,11-dimethyl-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3(8),4,6,9(26),10,12,15,17,19,21(25),22-dodecaene
CID 170037845

Frequently Asked Questions

What is the IUPAC name of 1-[7-methyl-1-(4-methylphenyl)carbazol-9-yl]ethanone?
The IUPAC name of 1-[7-methyl-1-(4-methylphenyl)carbazol-9-yl]ethanone (CID 102291757) is 1-[7-methyl-1-(4-methylphenyl)carbazol-9-yl]ethanone.
What is the SMILES notation for 1-[7-methyl-1-(4-methylphenyl)carbazol-9-yl]ethanone?
The canonical SMILES for 1-[7-methyl-1-(4-methylphenyl)carbazol-9-yl]ethanone is CC(=O)n1c2cc(C)ccc2c2cccc(-c3ccc(C)cc3)c21.
What is the InChIKey of 1-[7-methyl-1-(4-methylphenyl)carbazol-9-yl]ethanone?
The InChIKey is XXTAMZOJGPIGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO/c1-14-7-10-17(11-8-14)18-5-4-6-20-19-12-9-15(2)13-21(19)23(16(3)24)22(18)20/h4-13H,1-3H3.
What are the key properties of 1-[7-methyl-1-(4-methylphenyl)carbazol-9-yl]ethanone?
1-[7-methyl-1-(4-methylphenyl)carbazol-9-yl]ethanone has a molecular weight of 313.40 g/mol, XLogP of 5.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-methyl-1-(4-methylphenyl)carbazol-9-yl]ethanone is sourced from PubChem (CID 102291757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).