1,2,4,5,6,7,8-heptamethyl-9H-fluorene-3-carbonitrile

C21H23N — CID 157264674

IUPAC1,2,4,5,6,7,8-heptamethyl-9H-fluorene-3-carbonitrile
SMILESCc1c(C)c(C)c2c(c1C)Cc1c(C)c(C)c(C#N)c(C)c1-2
InChIInChI=1S/C21H23N/c1-10-11(2)15(6)20-17(12(10)3)8-18-13(4)14(5)19(9-22)16(7)21(18)20/h8H2,1-7H3
InChIKeyWQTFRHDNRYRQQD-UHFFFAOYSA-N
MW289.42 g/mol
LogP5.29
Rot. Bonds

About 1,2,4,5,6,7,8-heptamethyl-9H-fluorene-3-carbonitrile

1,2,4,5,6,7,8-heptamethyl-9H-fluorene-3-carbonitrile (PubChem CID 157264674) has the molecular formula C21H23N and a molecular weight of 289.42 g/mol. Its IUPAC name is 1,2,4,5,6,7,8-heptamethyl-9H-fluorene-3-carbonitrile.

Molecular Properties

Compound Name1,2,4,5,6,7,8-heptamethyl-9H-fluorene-3-carbonitrile
PubChem CID157264674
Molecular FormulaC21H23N
Molecular Weight289.42 g/mol
Exact Mass289.18
IUPAC Name1,2,4,5,6,7,8-heptamethyl-9H-fluorene-3-carbonitrile
SMILESCc1c(C)c(C)c2c(c1C)Cc1c(C)c(C)c(C#N)c(C)c1-2
InChIInChI=1S/C21H23N/c1-10-11(2)15(6)20-17(12(10)3)8-18-13(4)14(5)19(9-22)16(7)21(18)20/h8H2,1-7H3
InChIKeyWQTFRHDNRYRQQD-UHFFFAOYSA-N
XLogP5.29
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.42
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

bis(2-(2-cyano-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile);2-(3-cyano-2,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile;2-(4-cyano-2,3,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile;2,3,4,5-tetramethyl-6-(2,3,4,5,6-pentamethylphenyl)benzonitrile;2,3,4,6-tetramethyl-5-(2,3,4,5,6-pentamethylphenyl)benzonitrile;2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)benzonitrile;4,5,6-trimethyl-2-(2,3,4,5,6-pentamethylphenyl)benzene-1,3-dicarbonitrile
CID 158113945
2-(2-cyano-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile;bis(2-(3-cyano-2,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile);bis(3-(3-cyano-2,4,5,6-tetramethylphenyl)-2,4,5,6-tetramethylbenzonitrile);3-(4-cyano-2,3,5,6-tetramethylphenyl)-2,4,5,6-tetramethylbenzonitrile;2,3,5-trimethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene-1,4-dicarbonitrile;2,4,6-trimethyl-5-(2,3,4,5,6-pentamethylphenyl)benzene-1,3-dicarbonitrile
CID 161179009
1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene;2,3,4,5-tetramethyl-6-(2,3,4,5,6-pentamethylphenyl)benzonitrile;2,3,4,6-tetramethyl-5-(2,3,4,5,6-pentamethylphenyl)benzonitrile;2,3,5-trimethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene-1,4-dicarbonitrile;2,4,5-trimethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene-1,3-dicarbonitrile;2,4,6-trimethyl-5-(2,3,4,5,6-pentamethylphenyl)benzene-1,3-dicarbonitrile;bis(3,4,6-trimethyl-5-(2,3,4,5,6-pentamethylphenyl)benzene-1,2-dicarbonitrile)
CID 161284975
4,5,9,10,11,12,13,14-octamethyltricyclo[6.2.2.23,6]tetradeca-1(10),3(14),4,6(13),8,11-hexaene
CID 134983141
5,6,8-trimethyl-2-oxo-3,4-dihydro-1H-quinoline-7-carbonitrile
CID 58361855
3,4,5,6,7,8-hexamethyl-2-methylidene-1H-naphthalene
CID 158208659
2,4,5-trimethylthiophene-3-carbonitrile
CID 20818008
3-methylbenzene-1,2,4-tricarbonitrile
CID 54234334
4-iodo-5,6-dimethylbenzene-1,2,3-tricarbonitrile
CID 155283702
1,2,3,4,5-pentamethyl-6-[2,3,5,6-tetramethyl-4-[2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)phenyl]phenyl]benzene
CID 145429848
2-formyl-4,6-dimethylbenzene-1,3,5-tricarbonitrile
CID 20510505
9,10,14,15-tetramethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 59561091

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5,6,7,8-heptamethyl-9H-fluorene-3-carbonitrile?
The IUPAC name of 1,2,4,5,6,7,8-heptamethyl-9H-fluorene-3-carbonitrile (CID 157264674) is 1,2,4,5,6,7,8-heptamethyl-9H-fluorene-3-carbonitrile.
What is the SMILES notation for 1,2,4,5,6,7,8-heptamethyl-9H-fluorene-3-carbonitrile?
The canonical SMILES for 1,2,4,5,6,7,8-heptamethyl-9H-fluorene-3-carbonitrile is Cc1c(C)c(C)c2c(c1C)Cc1c(C)c(C)c(C#N)c(C)c1-2.
What is the InChIKey of 1,2,4,5,6,7,8-heptamethyl-9H-fluorene-3-carbonitrile?
The InChIKey is WQTFRHDNRYRQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N/c1-10-11(2)15(6)20-17(12(10)3)8-18-13(4)14(5)19(9-22)16(7)21(18)20/h8H2,1-7H3.
What are the key properties of 1,2,4,5,6,7,8-heptamethyl-9H-fluorene-3-carbonitrile?
1,2,4,5,6,7,8-heptamethyl-9H-fluorene-3-carbonitrile has a molecular weight of 289.42 g/mol, XLogP of 5.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5,6,7,8-heptamethyl-9H-fluorene-3-carbonitrile is sourced from PubChem (CID 157264674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).