9-ethyl-6-methyl-2-(4-methylthiophen-2-yl)carbazole;formaldehyde

C21H21NOS — CID 166554698

IUPAC9-ethyl-6-methyl-2-(4-methylthiophen-2-yl)carbazole;formaldehyde
SMILESC=O.CCn1c2ccc(C)cc2c2ccc(-c3cc(C)cs3)cc21
InChIInChI=1S/C20H19NS.CH2O/c1-4-21-18-8-5-13(2)9-17(18)16-7-6-15(11-19(16)21)20-10-14(3)12-22-20;1-2/h5-12H,4H2,1-3H3;1H2
InChIKeyZRDMUDIHNPEREP-UHFFFAOYSA-N
MW335.47 g/mol
LogP5.97
Rot. Bonds2

About 9-ethyl-6-methyl-2-(4-methylthiophen-2-yl)carbazole;formaldehyde

9-ethyl-6-methyl-2-(4-methylthiophen-2-yl)carbazole;formaldehyde (PubChem CID 166554698) has the molecular formula C21H21NOS and a molecular weight of 335.47 g/mol. Its IUPAC name is 9-ethyl-6-methyl-2-(4-methylthiophen-2-yl)carbazole;formaldehyde.

Molecular Properties

Compound Name9-ethyl-6-methyl-2-(4-methylthiophen-2-yl)carbazole;formaldehyde
PubChem CID166554698
Molecular FormulaC21H21NOS
Molecular Weight335.47 g/mol
Exact Mass335.13
IUPAC Name9-ethyl-6-methyl-2-(4-methylthiophen-2-yl)carbazole;formaldehyde
SMILESC=O.CCn1c2ccc(C)cc2c2ccc(-c3cc(C)cs3)cc21
InChIInChI=1S/C20H19NS.CH2O/c1-4-21-18-8-5-13(2)9-17(18)16-7-6-15(11-19(16)21)20-10-14(3)12-22-20;1-2/h5-12H,4H2,1-3H3;1H2
InChIKeyZRDMUDIHNPEREP-UHFFFAOYSA-N
XLogP5.97
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.47
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-6-methyl-2-(4-methylthiophen-2-yl)carbazole;formaldehyde?
The IUPAC name of 9-ethyl-6-methyl-2-(4-methylthiophen-2-yl)carbazole;formaldehyde (CID 166554698) is 9-ethyl-6-methyl-2-(4-methylthiophen-2-yl)carbazole;formaldehyde.
What is the SMILES notation for 9-ethyl-6-methyl-2-(4-methylthiophen-2-yl)carbazole;formaldehyde?
The canonical SMILES for 9-ethyl-6-methyl-2-(4-methylthiophen-2-yl)carbazole;formaldehyde is C=O.CCn1c2ccc(C)cc2c2ccc(-c3cc(C)cs3)cc21.
What is the InChIKey of 9-ethyl-6-methyl-2-(4-methylthiophen-2-yl)carbazole;formaldehyde?
The InChIKey is ZRDMUDIHNPEREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NS.CH2O/c1-4-21-18-8-5-13(2)9-17(18)16-7-6-15(11-19(16)21)20-10-14(3)12-22-20;1-2/h5-12H,4H2,1-3H3;1H2.
What are the key properties of 9-ethyl-6-methyl-2-(4-methylthiophen-2-yl)carbazole;formaldehyde?
9-ethyl-6-methyl-2-(4-methylthiophen-2-yl)carbazole;formaldehyde has a molecular weight of 335.47 g/mol, XLogP of 5.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-6-methyl-2-(4-methylthiophen-2-yl)carbazole;formaldehyde is sourced from PubChem (CID 166554698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).