9-(2-methoxy-5-methylphenyl)-3-methyl-6-methylsulfanylcarbazole

C22H21NOS — CID 144565348

IUPAC9-(2-methoxy-5-methylphenyl)-3-methyl-6-methylsulfanylcarbazole
SMILESCOc1ccc(C)cc1-n1c2ccc(C)cc2c2cc(SC)ccc21
InChIInChI=1S/C22H21NOS/c1-14-5-8-19-17(11-14)18-13-16(25-4)7-9-20(18)23(19)21-12-15(2)6-10-22(21)24-3/h5-13H,1-4H3
InChIKeyAPVOGMGNNJEMEF-UHFFFAOYSA-N
MW347.48 g/mol
LogP6.13
Rot. Bonds3

About 9-(2-methoxy-5-methylphenyl)-3-methyl-6-methylsulfanylcarbazole

9-(2-methoxy-5-methylphenyl)-3-methyl-6-methylsulfanylcarbazole (PubChem CID 144565348) has the molecular formula C22H21NOS and a molecular weight of 347.48 g/mol. Its IUPAC name is 9-(2-methoxy-5-methylphenyl)-3-methyl-6-methylsulfanylcarbazole.

Molecular Properties

Compound Name9-(2-methoxy-5-methylphenyl)-3-methyl-6-methylsulfanylcarbazole
PubChem CID144565348
Molecular FormulaC22H21NOS
Molecular Weight347.48 g/mol
Exact Mass347.13
IUPAC Name9-(2-methoxy-5-methylphenyl)-3-methyl-6-methylsulfanylcarbazole
SMILESCOc1ccc(C)cc1-n1c2ccc(C)cc2c2cc(SC)ccc21
InChIInChI=1S/C22H21NOS/c1-14-5-8-19-17(11-14)18-13-16(25-4)7-9-20(18)23(19)21-12-15(2)6-10-22(21)24-3/h5-13H,1-4H3
InChIKeyAPVOGMGNNJEMEF-UHFFFAOYSA-N
XLogP6.13
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.48
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole
CID 39243590
1-methoxy-7-methyl-3-methylsulfanylnaphthalene
CID 134416852
3,6-dimethoxy-9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(3,5-dimethylphenyl)anthracen-9-yl]phenyl]-3,6-bis(methylsulfanyl)carbazole;3,6-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 157191392
6-bromo-3-(2-methoxy-5-methylphenyl)-1H-benzimidazole-2-thione
CID 43660467
1-(2-methoxy-5-methylphenyl)-5-methylsulfanyltetrazole
CID 8897883
1-(2-methoxy-5-methylphenyl)-4-methylpiperazine
CID 20811370
ethane;9-(5-fluoro-2-methoxyphenyl)carbazole
CID 144565346
1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 974668
3-methyl-9-[2-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 58771355
2-ethyl-1-(2-methoxy-5-methylphenyl)benzimidazol-5-amine
CID 62506691
3,6-dimethyl-9-(2,3,4-trifluorophenyl)carbazole
CID 146656308
6-hydroxy-1-(2-methoxy-5-methylphenyl)-4,5-dimethylpyridin-2-one
CID 23338600

Frequently Asked Questions

What is the IUPAC name of 9-(2-methoxy-5-methylphenyl)-3-methyl-6-methylsulfanylcarbazole?
The IUPAC name of 9-(2-methoxy-5-methylphenyl)-3-methyl-6-methylsulfanylcarbazole (CID 144565348) is 9-(2-methoxy-5-methylphenyl)-3-methyl-6-methylsulfanylcarbazole.
What is the SMILES notation for 9-(2-methoxy-5-methylphenyl)-3-methyl-6-methylsulfanylcarbazole?
The canonical SMILES for 9-(2-methoxy-5-methylphenyl)-3-methyl-6-methylsulfanylcarbazole is COc1ccc(C)cc1-n1c2ccc(C)cc2c2cc(SC)ccc21.
What is the InChIKey of 9-(2-methoxy-5-methylphenyl)-3-methyl-6-methylsulfanylcarbazole?
The InChIKey is APVOGMGNNJEMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NOS/c1-14-5-8-19-17(11-14)18-13-16(25-4)7-9-20(18)23(19)21-12-15(2)6-10-22(21)24-3/h5-13H,1-4H3.
What are the key properties of 9-(2-methoxy-5-methylphenyl)-3-methyl-6-methylsulfanylcarbazole?
9-(2-methoxy-5-methylphenyl)-3-methyl-6-methylsulfanylcarbazole has a molecular weight of 347.48 g/mol, XLogP of 6.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methoxy-5-methylphenyl)-3-methyl-6-methylsulfanylcarbazole is sourced from PubChem (CID 144565348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).