4-(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile

C30H21N3O — CID 121329171

IUPAC4-(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile
SMILESCC(C)(C)c1ccc2c(c1)c1c3oc4ccccc4c3ccc1n2-c1ccc(C#N)cc1C#N
InChIInChI=1S/C30H21N3O/c1-30(2,3)20-9-12-25-23(15-20)28-26(33(25)24-11-8-18(16-31)14-19(24)17-32)13-10-22-21-6-4-5-7-27(21)34-29(22)28/h4-15H,1-3H3
InChIKeyZDMPGUGBXJOINK-UHFFFAOYSA-N
MW439.52 g/mol
LogP7.72
Rot. Bonds1

About 4-(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile

4-(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile (PubChem CID 121329171) has the molecular formula C30H21N3O and a molecular weight of 439.52 g/mol. Its IUPAC name is 4-(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name4-(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile
PubChem CID121329171
Molecular FormulaC30H21N3O
Molecular Weight439.52 g/mol
Exact Mass439.17
IUPAC Name4-(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile
SMILESCC(C)(C)c1ccc2c(c1)c1c3oc4ccccc4c3ccc1n2-c1ccc(C#N)cc1C#N
InChIInChI=1S/C30H21N3O/c1-30(2,3)20-9-12-25-23(15-20)28-26(33(25)24-11-8-18(16-31)14-19(24)17-32)13-10-22-21-6-4-5-7-27(21)34-29(22)28/h4-15H,1-3H3
InChIKeyZDMPGUGBXJOINK-UHFFFAOYSA-N
XLogP7.72
TPSA65.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.52
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-(3,6-ditert-butylcarbazol-9-yl)benzene-1,4-dicarbonitrile
CID 121328915
3,5-bis(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanobenzonitrile
CID 153462550
2,3-bis(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile
CID 153462530
5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(3,6-ditert-butylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 121329198
2-[2-tert-butyl-5-(2,5-dicyanophenyl)-[1]benzofuro[3,2-c]carbazol-10-yl]-6-[2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,4-dicarbonitrile
CID 167175585
4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(trifluoromethyl)phenyl]benzonitrile
CID 139526210
2,3-bis(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanobenzonitrile
CID 153461992
4-([1]benzofuro[3,2-c]carbazol-5-yl)-6-carbazol-9-ylbenzene-1,3-dicarbonitrile
CID 121307317
5-(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)-3-carbazol-9-ylbenzene-1,2-dicarbonitrile;3-carbazol-9-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;3-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile
CID 159499002
4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanophenyl]benzonitrile
CID 140793963
9-[3-cyano-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)phenyl]carbazole-3-carbonitrile
CID 126577577
2-(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile
CID 153461833

Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile?
The IUPAC name of 4-(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile (CID 121329171) is 4-(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 4-(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 4-(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile is CC(C)(C)c1ccc2c(c1)c1c3oc4ccccc4c3ccc1n2-c1ccc(C#N)cc1C#N.
What is the InChIKey of 4-(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile?
The InChIKey is ZDMPGUGBXJOINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N3O/c1-30(2,3)20-9-12-25-23(15-20)28-26(33(25)24-11-8-18(16-31)14-19(24)17-32)13-10-22-21-6-4-5-7-27(21)34-29(22)28/h4-15H,1-3H3.
What are the key properties of 4-(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile?
4-(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile has a molecular weight of 439.52 g/mol, XLogP of 7.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 121329171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).