2,7-dimethoxy-9-(4-methylsulfanylbutyl)carbazole

C19H23NO2S — CID 177244516

IUPAC2,7-dimethoxy-9-(4-methylsulfanylbutyl)carbazole
SMILESCOc1ccc2c3ccc(OC)cc3n(CCCCSC)c2c1
InChIInChI=1S/C19H23NO2S/c1-21-14-6-8-16-17-9-7-15(22-2)13-19(17)20(18(16)12-14)10-4-5-11-23-3/h6-9,12-13H,4-5,10-11H2,1-3H3
InChIKeyKXWJGXDIICBDFE-UHFFFAOYSA-N
MW329.47 g/mol
LogP4.95
Rot. Bonds7

About 2,7-dimethoxy-9-(4-methylsulfanylbutyl)carbazole

2,7-dimethoxy-9-(4-methylsulfanylbutyl)carbazole (PubChem CID 177244516) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is 2,7-dimethoxy-9-(4-methylsulfanylbutyl)carbazole.

Molecular Properties

Compound Name2,7-dimethoxy-9-(4-methylsulfanylbutyl)carbazole
PubChem CID177244516
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name2,7-dimethoxy-9-(4-methylsulfanylbutyl)carbazole
SMILESCOc1ccc2c3ccc(OC)cc3n(CCCCSC)c2c1
InChIInChI=1S/C19H23NO2S/c1-21-14-6-8-16-17-9-7-15(22-2)13-19(17)20(18(16)12-14)10-4-5-11-23-3/h6-9,12-13H,4-5,10-11H2,1-3H3
InChIKeyKXWJGXDIICBDFE-UHFFFAOYSA-N
XLogP4.95
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,7-dimethoxycarbazol-9-yl)-N,N-dimethylpropan-1-amine
CID 58544929
9-(4-methylsulfanylbutyl)carbazole
CID 177244640
7-methoxy-9-pentylcarbazole-3-carboxylic acid
CID 66739603
7-methoxy-9-[6-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)hexyl]-1-methylpyrido[3,4-b]indole
CID 71539519
methyl 7-methoxy-9-pentylcarbazole-3-carboxylate
CID 66739573
4-(1-ethyl-7-methoxypyrido[3,4-b]indol-9-yl)butan-1-amine
CID 54575646
5-(3-methoxycarbazol-9-yl)pentan-1-ol
CID 153297193
9-butyl-3-methoxycarbazole
CID 132503458
3-(3-methoxycarbazol-9-yl)propan-1-amine
CID 153297207
4-butoxy-1-hexyl-3,7-dimethoxyquinolin-2-one
CID 139717994
9-decyl-2,3,6,7-tetrakis(4-methoxyphenyl)carbazole
CID 122366143
5-methoxy-1-(2-methylsulfanylethyl)indole
CID 116619344

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethoxy-9-(4-methylsulfanylbutyl)carbazole?
The IUPAC name of 2,7-dimethoxy-9-(4-methylsulfanylbutyl)carbazole (CID 177244516) is 2,7-dimethoxy-9-(4-methylsulfanylbutyl)carbazole.
What is the SMILES notation for 2,7-dimethoxy-9-(4-methylsulfanylbutyl)carbazole?
The canonical SMILES for 2,7-dimethoxy-9-(4-methylsulfanylbutyl)carbazole is COc1ccc2c3ccc(OC)cc3n(CCCCSC)c2c1.
What is the InChIKey of 2,7-dimethoxy-9-(4-methylsulfanylbutyl)carbazole?
The InChIKey is KXWJGXDIICBDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-21-14-6-8-16-17-9-7-15(22-2)13-19(17)20(18(16)12-14)10-4-5-11-23-3/h6-9,12-13H,4-5,10-11H2,1-3H3.
What are the key properties of 2,7-dimethoxy-9-(4-methylsulfanylbutyl)carbazole?
2,7-dimethoxy-9-(4-methylsulfanylbutyl)carbazole has a molecular weight of 329.47 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethoxy-9-(4-methylsulfanylbutyl)carbazole is sourced from PubChem (CID 177244516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).