2-[8-[9-[5-(2,6-dicyanophenyl)-[1]benzofuro[3,2-c]carbazol-2-yl]carbazol-3-yl]-2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,3-dicarbonitrile

C70H35N7O2 — CID 155449823

IUPAC2-[8-[9-[5-(2,6-dicyanophenyl)-[1]benzofuro[3,2-c]carbazol-2-yl]carbazol-3-yl]-2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-n1c2ccc(-n3c4ccccc4c4cc(-c5cccc6oc7c(ccc8c7c7cc(-c9ccccc9)ccc7n8-c7c(C#N)cccc7C#N)c56)ccc43)cc2c2c3oc4ccccc4c3ccc21
InChIInChI=1S/C70H35N7O2/c71-36-43-13-8-14-44(37-72)67(43)76-58-28-23-41(40-11-2-1-3-12-40)33-54(58)65-61(76)32-27-52-64-48(19-10-22-63(64)79-70(52)65)42-24-29-57-53(34-42)49-17-4-6-20-56(49)75(57)47-25-30-59-55(35-47)66-60(77(59)68-45(38-73)15-9-16-46(68)39-74)31-26-51-50-18-5-7-21-62(50)78-69(51)66/h1-35H
InChIKeyGZBSFTADSLOKOI-UHFFFAOYSA-N
MW1006.10 g/mol
LogP17.60
Rot. Bonds5

About 2-[8-[9-[5-(2,6-dicyanophenyl)-[1]benzofuro[3,2-c]carbazol-2-yl]carbazol-3-yl]-2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,3-dicarbonitrile

2-[8-[9-[5-(2,6-dicyanophenyl)-[1]benzofuro[3,2-c]carbazol-2-yl]carbazol-3-yl]-2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,3-dicarbonitrile (PubChem CID 155449823) has the molecular formula C70H35N7O2 and a molecular weight of 1006.10 g/mol. Its IUPAC name is 2-[8-[9-[5-(2,6-dicyanophenyl)-[1]benzofuro[3,2-c]carbazol-2-yl]carbazol-3-yl]-2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-[8-[9-[5-(2,6-dicyanophenyl)-[1]benzofuro[3,2-c]carbazol-2-yl]carbazol-3-yl]-2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,3-dicarbonitrile
PubChem CID155449823
Molecular FormulaC70H35N7O2
Molecular Weight1006.10 g/mol
Exact Mass1005.29
IUPAC Name2-[8-[9-[5-(2,6-dicyanophenyl)-[1]benzofuro[3,2-c]carbazol-2-yl]carbazol-3-yl]-2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-n1c2ccc(-n3c4ccccc4c4cc(-c5cccc6oc7c(ccc8c7c7cc(-c9ccccc9)ccc7n8-c7c(C#N)cccc7C#N)c56)ccc43)cc2c2c3oc4ccccc4c3ccc21
InChIInChI=1S/C70H35N7O2/c71-36-43-13-8-14-44(37-72)67(43)76-58-28-23-41(40-11-2-1-3-12-40)33-54(58)65-61(76)32-27-52-64-48(19-10-22-63(64)79-70(52)65)42-24-29-57-53(34-42)49-17-4-6-20-56(49)75(57)47-25-30-59-55(35-47)66-60(77(59)68-45(38-73)15-9-16-46(68)39-74)31-26-51-50-18-5-7-21-62(50)78-69(51)66/h1-35H
InChIKeyGZBSFTADSLOKOI-UHFFFAOYSA-N
XLogP17.60
TPSA136.23 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001006.10
LogP ≤ 517.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[8-[9-[5-(2,6-dicyanophenyl)-[1]benzofuro[3,2-c]carbazol-2-yl]carbazol-3-yl]-2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,3-dicarbonitrile with MolForge

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Related Compounds

2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-(3-fluorocarbazol-9-yl)phenyl]benzonitrile
CID 129291110
2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-cyanophenyl]benzonitrile
CID 166987592
5-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 167193138
2-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-phenylbenzonitrile
CID 139340001
2,4-bis(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile
CID 121328770
9-(6-dibenzofuran-4-yldibenzofuran-2-yl)-3-phenylcarbazole
CID 146532981
2,3,6-tri(carbazol-9-yl)-4-phenyl-5-(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzonitrile
CID 170670798
5-phenyl-3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 142347126
2-[4-[3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]benzonitrile
CID 139339960
9-dibenzofuran-2-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170072865
9-carbazol-9-yl-5,12-diphenylindolo[3,2-c]carbazole;5-(4-carbazol-9-ylphenyl)-12-phenylindolo[3,2-c]carbazole;9-dibenzofuran-4-yl-5,12-diphenylindolo[3,2-c]carbazole;5,12-diphenyl-9-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole
CID 162123659
5-phenyl-2-(3-phenylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 121343859

Frequently Asked Questions

What is the IUPAC name of 2-[8-[9-[5-(2,6-dicyanophenyl)-[1]benzofuro[3,2-c]carbazol-2-yl]carbazol-3-yl]-2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 2-[8-[9-[5-(2,6-dicyanophenyl)-[1]benzofuro[3,2-c]carbazol-2-yl]carbazol-3-yl]-2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,3-dicarbonitrile (CID 155449823) is 2-[8-[9-[5-(2,6-dicyanophenyl)-[1]benzofuro[3,2-c]carbazol-2-yl]carbazol-3-yl]-2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-[8-[9-[5-(2,6-dicyanophenyl)-[1]benzofuro[3,2-c]carbazol-2-yl]carbazol-3-yl]-2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-[8-[9-[5-(2,6-dicyanophenyl)-[1]benzofuro[3,2-c]carbazol-2-yl]carbazol-3-yl]-2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,3-dicarbonitrile is N#Cc1cccc(C#N)c1-n1c2ccc(-n3c4ccccc4c4cc(-c5cccc6oc7c(ccc8c7c7cc(-c9ccccc9)ccc7n8-c7c(C#N)cccc7C#N)c56)ccc43)cc2c2c3oc4ccccc4c3ccc21.
What is the InChIKey of 2-[8-[9-[5-(2,6-dicyanophenyl)-[1]benzofuro[3,2-c]carbazol-2-yl]carbazol-3-yl]-2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,3-dicarbonitrile?
The InChIKey is GZBSFTADSLOKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H35N7O2/c71-36-43-13-8-14-44(37-72)67(43)76-58-28-23-41(40-11-2-1-3-12-40)33-54(58)65-61(76)32-27-52-64-48(19-10-22-63(64)79-70(52)65)42-24-29-57-53(34-42)49-17-4-6-20-56(49)75(57)47-25-30-59-55(35-47)66-60(77(59)68-45(38-73)15-9-16-46(68)39-74)31-26-51-50-18-5-7-21-62(50)78-69(51)66/h1-35H.
What are the key properties of 2-[8-[9-[5-(2,6-dicyanophenyl)-[1]benzofuro[3,2-c]carbazol-2-yl]carbazol-3-yl]-2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,3-dicarbonitrile?
2-[8-[9-[5-(2,6-dicyanophenyl)-[1]benzofuro[3,2-c]carbazol-2-yl]carbazol-3-yl]-2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,3-dicarbonitrile has a molecular weight of 1006.10 g/mol, XLogP of 17.60, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[9-[5-(2,6-dicyanophenyl)-[1]benzofuro[3,2-c]carbazol-2-yl]carbazol-3-yl]-2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 155449823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).