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

C22H25NOS — CID 166555285

IUPAC9-ethyl-6-methyl-2-(4-methylthiophen-2-yl)carbazole;formaldehyde;methane
SMILESC.C=O.CCn1c2ccc(C)cc2c2ccc(-c3cc(C)cs3)cc21
InChIInChI=1S/C20H19NS.CH2O.CH4/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;1H4
InChIKeyUPEGWBNOCITIDF-UHFFFAOYSA-N
MW351.52 g/mol
LogP6.61
Rot. Bonds2

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

9-ethyl-6-methyl-2-(4-methylthiophen-2-yl)carbazole;formaldehyde;methane (PubChem CID 166555285) has the molecular formula C22H25NOS and a molecular weight of 351.52 g/mol. Its IUPAC name is 9-ethyl-6-methyl-2-(4-methylthiophen-2-yl)carbazole;formaldehyde;methane.

Molecular Properties

Compound Name9-ethyl-6-methyl-2-(4-methylthiophen-2-yl)carbazole;formaldehyde;methane
PubChem CID166555285
Molecular FormulaC22H25NOS
Molecular Weight351.52 g/mol
Exact Mass351.17
IUPAC Name9-ethyl-6-methyl-2-(4-methylthiophen-2-yl)carbazole;formaldehyde;methane
SMILESC.C=O.CCn1c2ccc(C)cc2c2ccc(-c3cc(C)cs3)cc21
InChIInChI=1S/C20H19NS.CH2O.CH4/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;1H4
InChIKeyUPEGWBNOCITIDF-UHFFFAOYSA-N
XLogP6.61
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.52
LogP ≤ 56.61
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;methane?
The IUPAC name of 9-ethyl-6-methyl-2-(4-methylthiophen-2-yl)carbazole;formaldehyde;methane (CID 166555285) is 9-ethyl-6-methyl-2-(4-methylthiophen-2-yl)carbazole;formaldehyde;methane.
What is the SMILES notation for 9-ethyl-6-methyl-2-(4-methylthiophen-2-yl)carbazole;formaldehyde;methane?
The canonical SMILES for 9-ethyl-6-methyl-2-(4-methylthiophen-2-yl)carbazole;formaldehyde;methane is C.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;methane?
The InChIKey is UPEGWBNOCITIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NS.CH2O.CH4/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;1H4.
What are the key properties of 9-ethyl-6-methyl-2-(4-methylthiophen-2-yl)carbazole;formaldehyde;methane?
9-ethyl-6-methyl-2-(4-methylthiophen-2-yl)carbazole;formaldehyde;methane has a molecular weight of 351.52 g/mol, XLogP of 6.61, 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;methane is sourced from PubChem (CID 166555285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).