9-ethyl-6,6,8-trimethyl-11-methylidene-5H-benzo[b]carbazole-3-carbonitrile

C23H22N2 — CID 134375530

IUPAC9-ethyl-6,6,8-trimethyl-11-methylidene-5H-benzo[b]carbazole-3-carbonitrile
SMILESC=C1c2cc(CC)c(C)cc2C(C)(C)c2[nH]c3cc(C#N)ccc3c21
InChIInChI=1S/C23H22N2/c1-6-16-11-18-14(3)21-17-8-7-15(12-24)10-20(17)25-22(21)23(4,5)19(18)9-13(16)2/h7-11,25H,3,6H2,1-2,4-5H3
InChIKeyWCSCDRNRQBYPEE-UHFFFAOYSA-N
MW326.44 g/mol
LogP5.61
Rot. Bonds1

About 9-ethyl-6,6,8-trimethyl-11-methylidene-5H-benzo[b]carbazole-3-carbonitrile

9-ethyl-6,6,8-trimethyl-11-methylidene-5H-benzo[b]carbazole-3-carbonitrile (PubChem CID 134375530) has the molecular formula C23H22N2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 9-ethyl-6,6,8-trimethyl-11-methylidene-5H-benzo[b]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-ethyl-6,6,8-trimethyl-11-methylidene-5H-benzo[b]carbazole-3-carbonitrile
PubChem CID134375530
Molecular FormulaC23H22N2
Molecular Weight326.44 g/mol
Exact Mass326.18
IUPAC Name9-ethyl-6,6,8-trimethyl-11-methylidene-5H-benzo[b]carbazole-3-carbonitrile
SMILESC=C1c2cc(CC)c(C)cc2C(C)(C)c2[nH]c3cc(C#N)ccc3c21
InChIInChI=1S/C23H22N2/c1-6-16-11-18-14(3)21-17-8-7-15(12-24)10-20(17)25-22(21)23(4,5)19(18)9-13(16)2/h7-11,25H,3,6H2,1-2,4-5H3
InChIKeyWCSCDRNRQBYPEE-UHFFFAOYSA-N
XLogP5.61
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

9-ethyl-6,6-dimethyl-11-methylidene-8-(4-morpholin-4-ylpiperidin-1-yl)-5H-benzo[b]carbazole-3-carbonitrile
CID 118281997
9-ethyl-6,6-dimethyl-11-oxo-8-thiophen-2-yl-5H-benzo[b]carbazole-3-carbonitrile
CID 127040596
9-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3,8-dicarbonitrile
CID 135211199
8-[4-(cyclobutylamino)piperidin-1-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
CID 66834952
8-[4-[cyclohexyl(methyl)amino]piperidin-1-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
CID 67127612
8-[2-amino-4-(cyclohexylmethyl)piperidin-1-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
CID 175798713
8-(2-methoxyethoxy)-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
CID 66834055
9-(dihydroxyamino)-8-hydroxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
CID 134375939
2-[4-(3-cyano-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)pyrazol-1-yl]-N,N-dimethylacetamide
CID 127037084
9-ethyl-6,6-dimethyl-8-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile;hydron
CID 118796890
8-[4-(cyclopentanecarbonyl)piperazin-1-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
CID 67127618
3-ethyl-2-methyl-1H-indole-6-carbonitrile
CID 143660635

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-6,6,8-trimethyl-11-methylidene-5H-benzo[b]carbazole-3-carbonitrile?
The IUPAC name of 9-ethyl-6,6,8-trimethyl-11-methylidene-5H-benzo[b]carbazole-3-carbonitrile (CID 134375530) is 9-ethyl-6,6,8-trimethyl-11-methylidene-5H-benzo[b]carbazole-3-carbonitrile.
What is the SMILES notation for 9-ethyl-6,6,8-trimethyl-11-methylidene-5H-benzo[b]carbazole-3-carbonitrile?
The canonical SMILES for 9-ethyl-6,6,8-trimethyl-11-methylidene-5H-benzo[b]carbazole-3-carbonitrile is C=C1c2cc(CC)c(C)cc2C(C)(C)c2[nH]c3cc(C#N)ccc3c21.
What is the InChIKey of 9-ethyl-6,6,8-trimethyl-11-methylidene-5H-benzo[b]carbazole-3-carbonitrile?
The InChIKey is WCSCDRNRQBYPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2/c1-6-16-11-18-14(3)21-17-8-7-15(12-24)10-20(17)25-22(21)23(4,5)19(18)9-13(16)2/h7-11,25H,3,6H2,1-2,4-5H3.
What are the key properties of 9-ethyl-6,6,8-trimethyl-11-methylidene-5H-benzo[b]carbazole-3-carbonitrile?
9-ethyl-6,6,8-trimethyl-11-methylidene-5H-benzo[b]carbazole-3-carbonitrile has a molecular weight of 326.44 g/mol, XLogP of 5.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-6,6,8-trimethyl-11-methylidene-5H-benzo[b]carbazole-3-carbonitrile is sourced from PubChem (CID 134375530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).