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

C74H43N7O2 — CID 167175585

IUPAC2-[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
SMILESCC(C)(C)c1ccc2c(c1)c1c3oc4cc(-c5cc(C#N)cc(-n6c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7c7c8oc9ccccc9c8ccc76)c5C#N)ccc4c3ccc1n2-c1cc(C#N)ccc1C#N
InChIInChI=1S/C74H43N7O2/c1-74(2,3)48-22-28-63-58(37-48)71-64(80(63)66-32-42(38-75)17-18-47(66)40-77)29-25-54-52-23-19-46(36-69(52)83-73(54)71)55-31-43(39-76)33-67(59(55)41-78)81-62-27-21-45(35-57(62)70-65(81)30-24-53-51-14-8-10-16-68(51)82-72(53)70)44-20-26-61-56(34-44)50-13-7-9-15-60(50)79(61)49-11-5-4-6-12-49/h4-37H,1-3H3
InChIKeyATIUXUCKAJCDIJ-UHFFFAOYSA-N
MW1062.20 g/mol
LogP18.89
Rot. Bonds5

About 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

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 (PubChem CID 167175585) has the molecular formula C74H43N7O2 and a molecular weight of 1062.20 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID167175585
Molecular FormulaC74H43N7O2
Molecular Weight1062.20 g/mol
Exact Mass1061.35
IUPAC Name2-[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
SMILESCC(C)(C)c1ccc2c(c1)c1c3oc4cc(-c5cc(C#N)cc(-n6c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7c7c8oc9ccccc9c8ccc76)c5C#N)ccc4c3ccc1n2-c1cc(C#N)ccc1C#N
InChIInChI=1S/C74H43N7O2/c1-74(2,3)48-22-28-63-58(37-48)71-64(80(63)66-32-42(38-75)17-18-47(66)40-77)29-25-54-52-23-19-46(36-69(52)83-73(54)71)55-31-43(39-76)33-67(59(55)41-78)81-62-27-21-45(35-57(62)70-65(81)30-24-53-51-14-8-10-16-68(51)82-72(53)70)44-20-26-61-56(34-44)50-13-7-9-15-60(50)79(61)49-11-5-4-6-12-49/h4-37H,1-3H3
InChIKeyATIUXUCKAJCDIJ-UHFFFAOYSA-N
XLogP18.89
TPSA136.23 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001062.20
LogP ≤ 518.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

9-[3-cyano-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)phenyl]carbazole-3-carbonitrile
CID 126577577
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
4-(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile
CID 121329171
3,6-bis[2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile
CID 121324538
9-[4-methyl-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)phenyl]carbazole-3-carbonitrile
CID 146594001
3,5-bis(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;3,5-bis(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;2,4-bis(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile;3,5-bis(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;3,6-bis(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile
CID 161007750
3,5-bis(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanobenzonitrile
CID 153462550
4-isocyano-2,5-bis[2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazol-5-yl]benzonitrile
CID 153461832
2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122418130
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
2-carbazol-9-yl-6-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,4-dicarbonitrile
CID 121328622
3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(3,6-ditert-butylcarbazol-9-yl)-4-isocyanobenzonitrile;3-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-(3,6-ditert-butylcarbazol-9-yl)-4-isocyanobenzonitrile;3-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-2-(3,6-diphenylcarbazol-9-yl)-4-isocyanobenzonitrile;2-carbazol-9-yl-5-isocyano-4-(10-phenylbenzo[c]carbazol-7-yl)benzonitrile
CID 161274257

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc2c(c1)c1c3oc4cc(-c5cc(C#N)cc(-n6c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7c7c8oc9ccccc9c8ccc76)c5C#N)ccc4c3ccc1n2-c1cc(C#N)ccc1C#N.
What is the InChIKey of 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?
The InChIKey is ATIUXUCKAJCDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H43N7O2/c1-74(2,3)48-22-28-63-58(37-48)71-64(80(63)66-32-42(38-75)17-18-47(66)40-77)29-25-54-52-23-19-46(36-69(52)83-73(54)71)55-31-43(39-76)33-67(59(55)41-78)81-62-27-21-45(35-57(62)70-65(81)30-24-53-51-14-8-10-16-68(51)82-72(53)70)44-20-26-61-56(34-44)50-13-7-9-15-60(50)79(61)49-11-5-4-6-12-49/h4-37H,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 1062.20 g/mol, XLogP of 18.89, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167175585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).