9-(3,5-dimethylphenyl)-3,6-dimethylcarbazole

C22H21N — CID 138699297

IUPAC9-(3,5-dimethylphenyl)-3,6-dimethylcarbazole
SMILESCc1cc(C)cc(-n2c3ccc(C)cc3c3cc(C)ccc32)c1
InChIInChI=1S/C22H21N/c1-14-5-7-21-19(12-14)20-13-15(2)6-8-22(20)23(21)18-10-16(3)9-17(4)11-18/h5-13H,1-4H3
InChIKeyZHDDHWLHRLECAT-UHFFFAOYSA-N
MW299.42 g/mol
LogP6.02
Rot. Bonds1

About 9-(3,5-dimethylphenyl)-3,6-dimethylcarbazole

9-(3,5-dimethylphenyl)-3,6-dimethylcarbazole (PubChem CID 138699297) has the molecular formula C22H21N and a molecular weight of 299.42 g/mol. Its IUPAC name is 9-(3,5-dimethylphenyl)-3,6-dimethylcarbazole.

Molecular Properties

Compound Name9-(3,5-dimethylphenyl)-3,6-dimethylcarbazole
PubChem CID138699297
Molecular FormulaC22H21N
Molecular Weight299.42 g/mol
Exact Mass299.17
IUPAC Name9-(3,5-dimethylphenyl)-3,6-dimethylcarbazole
SMILESCc1cc(C)cc(-n2c3ccc(C)cc3c3cc(C)ccc32)c1
InChIInChI=1S/C22H21N/c1-14-5-7-21-19(12-14)20-13-15(2)6-8-22(20)23(21)18-10-16(3)9-17(4)11-18/h5-13H,1-4H3
InChIKeyZHDDHWLHRLECAT-UHFFFAOYSA-N
XLogP6.02
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.42
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,6-dimethyl-9-[6-methyl-9-(4-methylphenyl)carbazol-3-yl]carbazole
CID 59412024
3,6-bis[6-methyl-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole
CID 59412028
9-[3,5-bis(3-tert-butyl-6-methylcarbazol-9-yl)phenyl]-3-tert-butyl-6-methylcarbazole
CID 59399788
9-(4-iodophenyl)-3,6-dimethylcarbazole
CID 141350753
4-[[4-(3,6-dimethylcarbazol-9-yl)phenyl]methyl]aniline
CID 143119094
9-[6-(3,6-dimethylcarbazol-9-yl)pyren-2-yl]-3,6-dimethylcarbazole
CID 126500907
3-methyl-9-[3-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 59399075
3,6-dimethyl-9-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]carbazole
CID 118488392
9-[4-[(E)-2-[4-[4-[(E)-2-[4-(3,6-dimethylcarbazol-9-yl)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-3,6-dimethylcarbazole
CID 140923989
3-iodo-6-methyl-9-phenylcarbazole
CID 121336182
2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole
CID 159508303
6-methyl-9-phenylcarbazole-3-thiol
CID 143213291

Frequently Asked Questions

What is the IUPAC name of 9-(3,5-dimethylphenyl)-3,6-dimethylcarbazole?
The IUPAC name of 9-(3,5-dimethylphenyl)-3,6-dimethylcarbazole (CID 138699297) is 9-(3,5-dimethylphenyl)-3,6-dimethylcarbazole.
What is the SMILES notation for 9-(3,5-dimethylphenyl)-3,6-dimethylcarbazole?
The canonical SMILES for 9-(3,5-dimethylphenyl)-3,6-dimethylcarbazole is Cc1cc(C)cc(-n2c3ccc(C)cc3c3cc(C)ccc32)c1.
What is the InChIKey of 9-(3,5-dimethylphenyl)-3,6-dimethylcarbazole?
The InChIKey is ZHDDHWLHRLECAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N/c1-14-5-7-21-19(12-14)20-13-15(2)6-8-22(20)23(21)18-10-16(3)9-17(4)11-18/h5-13H,1-4H3.
What are the key properties of 9-(3,5-dimethylphenyl)-3,6-dimethylcarbazole?
9-(3,5-dimethylphenyl)-3,6-dimethylcarbazole has a molecular weight of 299.42 g/mol, XLogP of 6.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,5-dimethylphenyl)-3,6-dimethylcarbazole is sourced from PubChem (CID 138699297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).