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

C56H30N4O2 — CID 121328770

IUPAC2,4-bis(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1ccc(-n2c3ccc(-c4ccccc4)cc3c3c4oc5ccccc5c4ccc32)c(C#N)c1-n1c2ccc(-c3ccccc3)cc2c2c3oc4ccccc4c3ccc21
InChIInChI=1S/C56H30N4O2/c57-31-37-21-26-47(59-45-24-19-35(33-11-3-1-4-12-33)29-42(45)52-48(59)27-22-40-38-15-7-9-17-50(38)61-55(40)52)44(32-58)54(37)60-46-25-20-36(34-13-5-2-6-14-34)30-43(46)53-49(60)28-23-41-39-16-8-10-18-51(39)62-56(41)53/h1-30H
InChIKeyDWVRRCNWUZVQPP-UHFFFAOYSA-N
MW790.88 g/mol
LogP14.76
Rot. Bonds4

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

2,4-bis(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile (PubChem CID 121328770) has the molecular formula C56H30N4O2 and a molecular weight of 790.88 g/mol. Its IUPAC name is 2,4-bis(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2,4-bis(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile
PubChem CID121328770
Molecular FormulaC56H30N4O2
Molecular Weight790.88 g/mol
Exact Mass790.24
IUPAC Name2,4-bis(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1ccc(-n2c3ccc(-c4ccccc4)cc3c3c4oc5ccccc5c4ccc32)c(C#N)c1-n1c2ccc(-c3ccccc3)cc2c2c3oc4ccccc4c3ccc21
InChIInChI=1S/C56H30N4O2/c57-31-37-21-26-47(59-45-24-19-35(33-11-3-1-4-12-33)29-42(45)52-48(59)27-22-40-38-15-7-9-17-50(38)61-55(40)52)44(32-58)54(37)60-46-25-20-36(34-13-5-2-6-14-34)30-43(46)53-49(60)28-23-41-39-16-8-10-18-51(39)62-56(41)53/h1-30H
InChIKeyDWVRRCNWUZVQPP-UHFFFAOYSA-N
XLogP14.76
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.88
LogP ≤ 514.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3,6-bis(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile
CID 121324543
2,3,6-tri(carbazol-9-yl)-4-phenyl-5-(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzonitrile
CID 170670798
3,6-bis[2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile
CID 121324538
2,6-bis(2-dibenzofuran-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanobenzonitrile
CID 153462388
2-dibenzofuran-4-yl-4-(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 118920574
3-[2-(N-[3-[5-(2,4-dicyanophenyl)-2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-10-yl]phenyl]anilino)-[1]benzofuro[3,2-c]carbazol-5-yl]-4-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile
CID 167175596
5-isocyano-3-phenyl-2,4-bis(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzonitrile
CID 168824358
5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-cyanophenyl]-4-carbazol-9-ylbenzene-1,2,3-tricarbonitrile
CID 129299852
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
2-(2-dibenzofuran-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile
CID 153461878
2-(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile
CID 153461833
4-([1]benzofuro[3,2-c]carbazol-5-yl)-6-carbazol-9-ylbenzene-1,3-dicarbonitrile
CID 121307317

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile?
The IUPAC name of 2,4-bis(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile (CID 121328770) is 2,4-bis(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2,4-bis(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 2,4-bis(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile is N#Cc1ccc(-n2c3ccc(-c4ccccc4)cc3c3c4oc5ccccc5c4ccc32)c(C#N)c1-n1c2ccc(-c3ccccc3)cc2c2c3oc4ccccc4c3ccc21.
What is the InChIKey of 2,4-bis(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile?
The InChIKey is DWVRRCNWUZVQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H30N4O2/c57-31-37-21-26-47(59-45-24-19-35(33-11-3-1-4-12-33)29-42(45)52-48(59)27-22-40-38-15-7-9-17-50(38)61-55(40)52)44(32-58)54(37)60-46-25-20-36(34-13-5-2-6-14-34)30-43(46)53-49(60)28-23-41-39-16-8-10-18-51(39)62-56(41)53/h1-30H.
What are the key properties of 2,4-bis(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile?
2,4-bis(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile has a molecular weight of 790.88 g/mol, XLogP of 14.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 121328770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).