3,6-bis(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile

C68H34N4O4 — CID 121324543

IUPAC3,6-bis(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile
SMILESN#Cc1c(-n2c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3c3c4oc5ccccc5c4ccc32)ccc(-n2c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3c3c4oc5ccccc5c4ccc32)c1C#N
InChIInChI=1S/C68H34N4O4/c69-35-51-52(36-70)56(72-54-26-20-38(40-18-22-46-42-10-2-6-14-60(42)74-64(46)34-40)32-50(54)66-58(72)28-24-48-44-12-4-8-16-62(44)76-68(48)66)30-29-55(51)71-53-25-19-37(39-17-21-45-41-9-1-5-13-59(41)73-63(45)33-39)31-49(53)65-57(71)27-23-47-43-11-3-7-15-61(43)75-67(47)65/h1-34H
InChIKeyKFVTVKVPCIZCJW-UHFFFAOYSA-N
MW971.04 g/mol
LogP18.56
Rot. Bonds4

About 3,6-bis(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile

3,6-bis(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile (PubChem CID 121324543) has the molecular formula C68H34N4O4 and a molecular weight of 971.04 g/mol. Its IUPAC name is 3,6-bis(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name3,6-bis(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile
PubChem CID121324543
Molecular FormulaC68H34N4O4
Molecular Weight971.04 g/mol
Exact Mass970.26
IUPAC Name3,6-bis(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile
SMILESN#Cc1c(-n2c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3c3c4oc5ccccc5c4ccc32)ccc(-n2c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3c3c4oc5ccccc5c4ccc32)c1C#N
InChIInChI=1S/C68H34N4O4/c69-35-51-52(36-70)56(72-54-26-20-38(40-18-22-46-42-10-2-6-14-60(42)74-64(46)34-40)32-50(54)66-58(72)28-24-48-44-12-4-8-16-62(44)76-68(48)66)30-29-55(51)71-53-25-19-37(39-17-21-45-41-9-1-5-13-59(41)73-63(45)33-39)31-49(53)65-57(71)27-23-47-43-11-3-7-15-61(43)75-67(47)65/h1-34H
InChIKeyKFVTVKVPCIZCJW-UHFFFAOYSA-N
XLogP18.56
TPSA110.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500971.04
LogP ≤ 518.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3,6-bis(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,6-bis[2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile
CID 121324538
2,4-bis(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile
CID 121328770
2-(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile
CID 153461833
2,4-bis(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile
CID 153462015
2,6-bis(2-dibenzofuran-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanobenzonitrile
CID 153462388
2-(2-dibenzofuran-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile
CID 153461878
3,4,5-tris([1]benzofuro[3,2-c]carbazol-5-yl)-2,6-di(dibenzofuran-2-yl)benzonitrile
CID 139441514
3-([1]benzofuro[3,2-c]carbazol-5-yl)-6-(4-carbazol-9-yl-2,5-dicyanophenyl)benzene-1,2-dicarbonitrile
CID 129290857
2,3,6-tri(carbazol-9-yl)-4-phenyl-5-(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzonitrile
CID 170670798
4-([1]benzofuro[3,2-c]carbazol-5-yl)-6-carbazol-9-ylbenzene-1,3-dicarbonitrile
CID 121307317
5-(7-dibenzofuran-2-yldibenzofuran-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 170276888
3-carbazol-9-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile
CID 121324616

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile?
The IUPAC name of 3,6-bis(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile (CID 121324543) is 3,6-bis(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile.
What is the SMILES notation for 3,6-bis(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile?
The canonical SMILES for 3,6-bis(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile is N#Cc1c(-n2c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3c3c4oc5ccccc5c4ccc32)ccc(-n2c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3c3c4oc5ccccc5c4ccc32)c1C#N.
What is the InChIKey of 3,6-bis(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile?
The InChIKey is KFVTVKVPCIZCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H34N4O4/c69-35-51-52(36-70)56(72-54-26-20-38(40-18-22-46-42-10-2-6-14-60(42)74-64(46)34-40)32-50(54)66-58(72)28-24-48-44-12-4-8-16-62(44)76-68(48)66)30-29-55(51)71-53-25-19-37(39-17-21-45-41-9-1-5-13-59(41)73-63(45)33-39)31-49(53)65-57(71)27-23-47-43-11-3-7-15-61(43)75-67(47)65/h1-34H.
What are the key properties of 3,6-bis(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile?
3,6-bis(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile has a molecular weight of 971.04 g/mol, XLogP of 18.56, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile is sourced from PubChem (CID 121324543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).