9-(3-tert-butylphenyl)carbazole-2-carbonitrile

C23H20N2 — CID 164818616

IUPAC9-(3-tert-butylphenyl)carbazole-2-carbonitrile
SMILESCC(C)(C)c1cccc(-n2c3ccccc3c3ccc(C#N)cc32)c1
InChIInChI=1S/C23H20N2/c1-23(2,3)17-7-6-8-18(14-17)25-21-10-5-4-9-19(21)20-12-11-16(15-24)13-22(20)25/h4-14H,1-3H3
InChIKeyJHONFQMLMMIRPQ-UHFFFAOYSA-N
MW324.43 g/mol
LogP5.95
Rot. Bonds1

About 9-(3-tert-butylphenyl)carbazole-2-carbonitrile

9-(3-tert-butylphenyl)carbazole-2-carbonitrile (PubChem CID 164818616) has the molecular formula C23H20N2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 9-(3-tert-butylphenyl)carbazole-2-carbonitrile.

Molecular Properties

Compound Name9-(3-tert-butylphenyl)carbazole-2-carbonitrile
PubChem CID164818616
Molecular FormulaC23H20N2
Molecular Weight324.43 g/mol
Exact Mass324.16
IUPAC Name9-(3-tert-butylphenyl)carbazole-2-carbonitrile
SMILESCC(C)(C)c1cccc(-n2c3ccccc3c3ccc(C#N)cc32)c1
InChIInChI=1S/C23H20N2/c1-23(2,3)17-7-6-8-18(14-17)25-21-10-5-4-9-19(21)20-12-11-16(15-24)13-22(20)25/h4-14H,1-3H3
InChIKeyJHONFQMLMMIRPQ-UHFFFAOYSA-N
XLogP5.95
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.43
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-tert-butyl-9-phenylcarbazole-3-carbonitrile
CID 164818835
9-(3-tert-butylphenyl)-2-[9-(4-tert-butylphenyl)carbazol-2-yl]carbazole
CID 126685172
6-(4-carbazol-9-ylphenyl)-9-phenylcarbazole-2-carbonitrile
CID 126690271
12-(3-tert-butylphenyl)-11-phenylindolo[2,3-a]carbazole
CID 170268517
6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile
CID 134597724
9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile
CID 155080742
9-tert-butylcarbazole;2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;9-(3-tert-butylphenyl)carbazole
CID 160742117
3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole
CID 59399108
9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 118650216
5,12-diphenyl-9-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[2,3-g]carbazole-3-carbonitrile
CID 134598027
4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 59399298
6-methyl-9-phenylcarbazole-2-carbonitrile
CID 129176191

Frequently Asked Questions

What is the IUPAC name of 9-(3-tert-butylphenyl)carbazole-2-carbonitrile?
The IUPAC name of 9-(3-tert-butylphenyl)carbazole-2-carbonitrile (CID 164818616) is 9-(3-tert-butylphenyl)carbazole-2-carbonitrile.
What is the SMILES notation for 9-(3-tert-butylphenyl)carbazole-2-carbonitrile?
The canonical SMILES for 9-(3-tert-butylphenyl)carbazole-2-carbonitrile is CC(C)(C)c1cccc(-n2c3ccccc3c3ccc(C#N)cc32)c1.
What is the InChIKey of 9-(3-tert-butylphenyl)carbazole-2-carbonitrile?
The InChIKey is JHONFQMLMMIRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2/c1-23(2,3)17-7-6-8-18(14-17)25-21-10-5-4-9-19(21)20-12-11-16(15-24)13-22(20)25/h4-14H,1-3H3.
What are the key properties of 9-(3-tert-butylphenyl)carbazole-2-carbonitrile?
9-(3-tert-butylphenyl)carbazole-2-carbonitrile has a molecular weight of 324.43 g/mol, XLogP of 5.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-tert-butylphenyl)carbazole-2-carbonitrile is sourced from PubChem (CID 164818616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).