7-tert-butyl-9-phenylcarbazole-3-carbonitrile

C23H20N2 — CID 164818835

IUPAC7-tert-butyl-9-phenylcarbazole-3-carbonitrile
SMILESCC(C)(C)c1ccc2c3cc(C#N)ccc3n(-c3ccccc3)c2c1
InChIInChI=1S/C23H20N2/c1-23(2,3)17-10-11-19-20-13-16(15-24)9-12-21(20)25(22(19)14-17)18-7-5-4-6-8-18/h4-14H,1-3H3
InChIKeyZAYCRNNGEQMKST-UHFFFAOYSA-N
MW324.43 g/mol
LogP5.95
Rot. Bonds1

About 7-tert-butyl-9-phenylcarbazole-3-carbonitrile

7-tert-butyl-9-phenylcarbazole-3-carbonitrile (PubChem CID 164818835) has the molecular formula C23H20N2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 7-tert-butyl-9-phenylcarbazole-3-carbonitrile.

Molecular Properties

Compound Name7-tert-butyl-9-phenylcarbazole-3-carbonitrile
PubChem CID164818835
Molecular FormulaC23H20N2
Molecular Weight324.43 g/mol
Exact Mass324.16
IUPAC Name7-tert-butyl-9-phenylcarbazole-3-carbonitrile
SMILESCC(C)(C)c1ccc2c3cc(C#N)ccc3n(-c3ccccc3)c2c1
InChIInChI=1S/C23H20N2/c1-23(2,3)17-10-11-19-20-13-16(15-24)9-12-21(20)25(22(19)14-17)18-7-5-4-6-8-18/h4-14H,1-3H3
InChIKeyZAYCRNNGEQMKST-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

9-(3-tert-butylphenyl)carbazole-2-carbonitrile
CID 164818616
6-methyl-9-phenylcarbazole-2-carbonitrile
CID 129176191
6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile
CID 134597724
6-amino-9-phenylcarbazole-2-carbonitrile
CID 147955073
6-(4-carbazol-9-ylphenyl)-9-phenylcarbazole-2-carbonitrile
CID 126690271
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
CID 159170044
2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121355698
3,6-ditert-butyl-10-phenylacridin-9-one
CID 139036050
6-[(7-cyano-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole-2-carbonitrile
CID 134602601
2-tert-butyl-7-(2-methylsulfanylpropan-2-yl)-9-phenylcarbazole
CID 170187898
2-tert-butyl-9-(4-phenylphenyl)carbazole
CID 122692449
2-(3-tert-butyl-6-phenylcarbazol-9-yl)-5-(6,9-diphenylcarbazol-2-yl)benzene-1,3-dicarbonitrile
CID 118927648

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-9-phenylcarbazole-3-carbonitrile?
The IUPAC name of 7-tert-butyl-9-phenylcarbazole-3-carbonitrile (CID 164818835) is 7-tert-butyl-9-phenylcarbazole-3-carbonitrile.
What is the SMILES notation for 7-tert-butyl-9-phenylcarbazole-3-carbonitrile?
The canonical SMILES for 7-tert-butyl-9-phenylcarbazole-3-carbonitrile is CC(C)(C)c1ccc2c3cc(C#N)ccc3n(-c3ccccc3)c2c1.
What is the InChIKey of 7-tert-butyl-9-phenylcarbazole-3-carbonitrile?
The InChIKey is ZAYCRNNGEQMKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2/c1-23(2,3)17-10-11-19-20-13-16(15-24)9-12-21(20)25(22(19)14-17)18-7-5-4-6-8-18/h4-14H,1-3H3.
What are the key properties of 7-tert-butyl-9-phenylcarbazole-3-carbonitrile?
7-tert-butyl-9-phenylcarbazole-3-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 7-tert-butyl-9-phenylcarbazole-3-carbonitrile is sourced from PubChem (CID 164818835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).