9-[3-cyano-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)phenyl]carbazole-3-carbonitrile

C44H24N4O — CID 126577577

IUPAC9-[3-cyano-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cccc(C#N)c1-c1ccc2c(c1)c1c3oc4ccccc4c3ccc1n2-c1ccccc1
InChIInChI=1S/C44H24N4O/c45-25-27-17-20-37-34(23-27)31-12-4-6-14-36(31)48(37)39-15-8-9-29(26-46)42(39)28-18-21-38-35(24-28)43-40(47(38)30-10-2-1-3-11-30)22-19-33-32-13-5-7-16-41(32)49-44(33)43/h1-24H
InChIKeyHLUXIYOXKLQPOC-UHFFFAOYSA-N
MW624.70 g/mol
LogP11.19
Rot. Bonds3

About 9-[3-cyano-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)phenyl]carbazole-3-carbonitrile

9-[3-cyano-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)phenyl]carbazole-3-carbonitrile (PubChem CID 126577577) has the molecular formula C44H24N4O and a molecular weight of 624.70 g/mol. Its IUPAC name is 9-[3-cyano-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)phenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[3-cyano-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)phenyl]carbazole-3-carbonitrile
PubChem CID126577577
Molecular FormulaC44H24N4O
Molecular Weight624.70 g/mol
Exact Mass624.20
IUPAC Name9-[3-cyano-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cccc(C#N)c1-c1ccc2c(c1)c1c3oc4ccccc4c3ccc1n2-c1ccccc1
InChIInChI=1S/C44H24N4O/c45-25-27-17-20-37-34(23-27)31-12-4-6-14-36(31)48(37)39-15-8-9-29(26-46)42(39)28-18-21-38-35(24-28)43-40(47(38)30-10-2-1-3-11-30)22-19-33-32-13-5-7-16-41(32)49-44(33)43/h1-24H
InChIKeyHLUXIYOXKLQPOC-UHFFFAOYSA-N
XLogP11.19
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.70
LogP ≤ 511.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[3-cyano-2-(12-phenyl-[1]benzofuro[3,2-a]carbazol-9-yl)phenyl]carbazole-3-carbonitrile
CID 126582483
9-[4-methyl-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)phenyl]carbazole-3-carbonitrile
CID 146594001
3,6-bis[2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile
CID 121324538
[3-carbazol-9-yl-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)phenyl]phosphane
CID 163560913
5-naphthalen-1-yl-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 121343366
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-isocyano-2,5-bis[2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazol-5-yl]benzonitrile
CID 153461832
9-[2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 149260154
8-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-cyanophenyl]dibenzofuran-2-carbonitrile;8-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-cyanophenyl]dibenzofuran-2-carbonitrile;8-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]dibenzofuran-2-carbonitrile;5-(3-cyano-2-dibenzofuran-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole-11-carbonitrile
CID 161253648
9-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 139339852
9-[4-[3-(2-carbazol-9-yl-6-cyanophenyl)phenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155081587
2-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile
CID 139339954

Frequently Asked Questions

What is the IUPAC name of 9-[3-cyano-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)phenyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[3-cyano-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)phenyl]carbazole-3-carbonitrile (CID 126577577) is 9-[3-cyano-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)phenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[3-cyano-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)phenyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[3-cyano-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)phenyl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1cccc(C#N)c1-c1ccc2c(c1)c1c3oc4ccccc4c3ccc1n2-c1ccccc1.
What is the InChIKey of 9-[3-cyano-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)phenyl]carbazole-3-carbonitrile?
The InChIKey is HLUXIYOXKLQPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24N4O/c45-25-27-17-20-37-34(23-27)31-12-4-6-14-36(31)48(37)39-15-8-9-29(26-46)42(39)28-18-21-38-35(24-28)43-40(47(38)30-10-2-1-3-11-30)22-19-33-32-13-5-7-16-41(32)49-44(33)43/h1-24H.
What are the key properties of 9-[3-cyano-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)phenyl]carbazole-3-carbonitrile?
9-[3-cyano-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)phenyl]carbazole-3-carbonitrile has a molecular weight of 624.70 g/mol, XLogP of 11.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-cyano-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 126577577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).