9-[3-cyano-2-(12-phenyl-[1]benzofuro[3,2-a]carbazol-9-yl)phenyl]carbazole-3-carbonitrile

C44H24N4O — CID 126582483

IUPAC9-[3-cyano-2-(12-phenyl-[1]benzofuro[3,2-a]carbazol-9-yl)phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cccc(C#N)c1-c1ccc2c(c1)c1ccc3oc4ccccc4c3c1n2-c1ccccc1
InChIInChI=1S/C44H24N4O/c45-25-27-17-20-38-34(23-27)31-12-4-6-14-36(31)48(38)39-15-8-9-29(26-46)42(39)28-18-21-37-35(24-28)32-19-22-41-43(33-13-5-7-16-40(33)49-41)44(32)47(37)30-10-2-1-3-11-30/h1-24H
InChIKeyNMCYMNRRFLLBGR-UHFFFAOYSA-N
MW624.70 g/mol
LogP11.19
Rot. Bonds3

About 9-[3-cyano-2-(12-phenyl-[1]benzofuro[3,2-a]carbazol-9-yl)phenyl]carbazole-3-carbonitrile

9-[3-cyano-2-(12-phenyl-[1]benzofuro[3,2-a]carbazol-9-yl)phenyl]carbazole-3-carbonitrile (PubChem CID 126582483) has the molecular formula C44H24N4O and a molecular weight of 624.70 g/mol. Its IUPAC name is 9-[3-cyano-2-(12-phenyl-[1]benzofuro[3,2-a]carbazol-9-yl)phenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[3-cyano-2-(12-phenyl-[1]benzofuro[3,2-a]carbazol-9-yl)phenyl]carbazole-3-carbonitrile
PubChem CID126582483
Molecular FormulaC44H24N4O
Molecular Weight624.70 g/mol
Exact Mass624.20
IUPAC Name9-[3-cyano-2-(12-phenyl-[1]benzofuro[3,2-a]carbazol-9-yl)phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cccc(C#N)c1-c1ccc2c(c1)c1ccc3oc4ccccc4c3c1n2-c1ccccc1
InChIInChI=1S/C44H24N4O/c45-25-27-17-20-38-34(23-27)31-12-4-6-14-36(31)48(38)39-15-8-9-29(26-46)42(39)28-18-21-37-35(24-28)32-19-22-41-43(33-13-5-7-16-40(33)49-41)44(32)47(37)30-10-2-1-3-11-30/h1-24H
InChIKeyNMCYMNRRFLLBGR-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-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)phenyl]carbazole-3-carbonitrile
CID 126577577
3-([1]benzofuro[3,2-a]carbazol-12-yl)-2-[4-(2-phenylcarbazol-9-yl)phenyl]benzonitrile
CID 129300022
9-[2-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-2-carbonitrile
CID 152884793
9-(2-carbazol-9-yl-6-isocyanophenyl)-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 153462890
2-carbazol-9-yl-3-(2-dibenzofuran-2-ylphenyl)benzonitrile;4-carbazol-9-yl-3-(2-dibenzofuran-2-ylphenyl)benzonitrile;2-carbazol-9-yl-3-[4-(9-phenylcarbazol-1-yl)phenyl]benzonitrile;3-(2-carbazol-9-ylphenyl)-2-dibenzofuran-2-ylbenzonitrile;3-(2-carbazol-9-ylphenyl)-4-dibenzofuran-2-ylbenzonitrile
CID 158132666
9-[4-[[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenylsilyl]phenyl]carbazole-3,6-dicarbonitrile
CID 140842346
9-[2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 149260154
2-dibenzofuran-2-yl-3-[3-(4,6-diphenylpyrimidin-2-yl)carbazol-9-yl]benzonitrile
CID 122575891
8-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-6-cyanophenyl]dibenzofuran-2-carbonitrile;2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-dibenzofuran-2-ylbenzonitrile;3-([1]benzofuro[2,3-a]carbazol-12-yl)-4-dibenzofuran-2-ylbenzonitrile;8-[2-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]dibenzofuran-2-carbonitrile
CID 160750863
9-[4-[3-(2-carbazol-9-yl-6-cyanophenyl)phenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155081587
9-[2-[3-(4-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-1,6-dicarbonitrile
CID 155080093
2-[2-(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazol-1-yl]benzene-1,3-dicarbonitrile
CID 134604428

Frequently Asked Questions

What is the IUPAC name of 9-[3-cyano-2-(12-phenyl-[1]benzofuro[3,2-a]carbazol-9-yl)phenyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[3-cyano-2-(12-phenyl-[1]benzofuro[3,2-a]carbazol-9-yl)phenyl]carbazole-3-carbonitrile (CID 126582483) is 9-[3-cyano-2-(12-phenyl-[1]benzofuro[3,2-a]carbazol-9-yl)phenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[3-cyano-2-(12-phenyl-[1]benzofuro[3,2-a]carbazol-9-yl)phenyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[3-cyano-2-(12-phenyl-[1]benzofuro[3,2-a]carbazol-9-yl)phenyl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1cccc(C#N)c1-c1ccc2c(c1)c1ccc3oc4ccccc4c3c1n2-c1ccccc1.
What is the InChIKey of 9-[3-cyano-2-(12-phenyl-[1]benzofuro[3,2-a]carbazol-9-yl)phenyl]carbazole-3-carbonitrile?
The InChIKey is NMCYMNRRFLLBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24N4O/c45-25-27-17-20-38-34(23-27)31-12-4-6-14-36(31)48(38)39-15-8-9-29(26-46)42(39)28-18-21-37-35(24-28)32-19-22-41-43(33-13-5-7-16-40(33)49-41)44(32)47(37)30-10-2-1-3-11-30/h1-24H.
What are the key properties of 9-[3-cyano-2-(12-phenyl-[1]benzofuro[3,2-a]carbazol-9-yl)phenyl]carbazole-3-carbonitrile?
9-[3-cyano-2-(12-phenyl-[1]benzofuro[3,2-a]carbazol-9-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-(12-phenyl-[1]benzofuro[3,2-a]carbazol-9-yl)phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 126582483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).