3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-4-cyanophenyl]-2-carbazol-9-ylbenzonitrile

C44H24N4O — CID 129300208

IUPAC3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-4-cyanophenyl]-2-carbazol-9-ylbenzonitrile
SMILESN#Cc1ccc(-c2cccc(C#N)c2-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3cc4oc5ccccc5c4cc32)c1
InChIInChI=1S/C44H24N4O/c45-25-27-20-21-32(34-15-9-10-28(26-46)44(34)48-38-17-6-1-11-29(38)30-12-2-7-18-39(30)48)40(22-27)47-37-16-5-3-13-31(37)35-24-43-36(23-41(35)47)33-14-4-8-19-42(33)49-43/h1-24H
InChIKeyNXSAAJSKTMCVMK-UHFFFAOYSA-N
MW624.70 g/mol
LogP11.19
Rot. Bonds3

About 3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-4-cyanophenyl]-2-carbazol-9-ylbenzonitrile

3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-4-cyanophenyl]-2-carbazol-9-ylbenzonitrile (PubChem CID 129300208) has the molecular formula C44H24N4O and a molecular weight of 624.70 g/mol. Its IUPAC name is 3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-4-cyanophenyl]-2-carbazol-9-ylbenzonitrile.

Molecular Properties

Compound Name3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-4-cyanophenyl]-2-carbazol-9-ylbenzonitrile
PubChem CID129300208
Molecular FormulaC44H24N4O
Molecular Weight624.70 g/mol
Exact Mass624.20
IUPAC Name3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-4-cyanophenyl]-2-carbazol-9-ylbenzonitrile
SMILESN#Cc1ccc(-c2cccc(C#N)c2-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3cc4oc5ccccc5c4cc32)c1
InChIInChI=1S/C44H24N4O/c45-25-27-20-21-32(34-15-9-10-28(26-46)44(34)48-38-17-6-1-11-29(38)30-12-2-7-18-39(30)48)40(22-27)47-37-16-5-3-13-31(37)35-24-43-36(23-41(35)47)33-14-4-8-19-42(33)49-43/h1-24H
InChIKeyNXSAAJSKTMCVMK-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

4-([1]benzofuro[3,2-b]carbazol-11-yl)-3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-5-cyanophenyl]benzonitrile
CID 129300231
2-carbazol-9-yl-3-dibenzofuran-3-ylbenzonitrile;3-carbazol-9-yl-2-dibenzofuran-3-ylbenzonitrile;3-carbazol-9-yl-4-dibenzofuran-3-ylbenzonitrile;4-carbazol-9-yl-3-dibenzofuran-3-ylbenzonitrile
CID 161435826
2-carbazol-9-yl-3-dibenzofuran-2-ylbenzonitrile;3-carbazol-9-yl-2-dibenzofuran-2-ylbenzonitrile;3-carbazol-9-yl-4-dibenzofuran-2-ylbenzonitrile;4-carbazol-9-yl-3-dibenzofuran-2-ylbenzonitrile
CID 158041549
2,4-bis([1]benzofuro[3,2-b]carbazol-11-yl)benzene-1,3-dicarbonitrile
CID 163559346
3-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-5-cyanophenyl]-4-carbazol-9-ylbenzonitrile
CID 129300202
2-([1]benzofuro[3,2-b]carbazol-11-yl)-4-(2-carbazol-9-ylphenyl)benzonitrile
CID 129291049
9-[2-(2-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile;9-[2-(2-carbazol-9-yl-4-cyanophenyl)phenyl]carbazole-3-carbonitrile;9-[2-(2-carbazol-9-yl-5-isocyanophenyl)phenyl]carbazole-3-carbonitrile;9-[2-[3-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;9-[2-[4-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;9-[4-cyano-2-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 158250741
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
2-carbazol-9-yl-3-[18-(3-cyanophenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]benzonitrile
CID 126582478
9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 154958136
8-[2-(2-carbazol-9-yl-3-cyanophenyl)-6-cyanophenyl]dibenzofuran-2-carbonitrile;2-carbazol-9-yl-3-(2-dibenzofuran-2-yl-3-fluorophenyl)benzonitrile;3-carbazol-9-yl-4-(2-dibenzofuran-2-ylphenyl)benzene-1,2-dicarbonitrile;2-carbazol-9-yl-3-(2-dibenzofuran-3-ylphenyl)benzonitrile;4-carbazol-9-yl-3-(2-dibenzofuran-3-ylphenyl)benzonitrile;8-[2-(2-carbazol-9-ylphenyl)-6-cyanophenyl]dibenzofuran-2-carbonitrile
CID 165025646
2-carbazol-9-yl-3-(4-carbazol-9-yl-2-cyanophenyl)benzonitrile;3-carbazol-9-yl-4-(4-carbazol-9-yl-2-cyanophenyl)benzonitrile;3-carbazol-9-yl-4-(4-carbazol-9-yl-3-cyanophenyl)benzonitrile;4-carbazol-9-yl-3-(4-carbazol-9-yl-2-cyanophenyl)benzonitrile;4-carbazol-9-yl-3-(4-carbazol-9-yl-3-cyanophenyl)benzonitrile
CID 158193509

Frequently Asked Questions

What is the IUPAC name of 3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-4-cyanophenyl]-2-carbazol-9-ylbenzonitrile?
The IUPAC name of 3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-4-cyanophenyl]-2-carbazol-9-ylbenzonitrile (CID 129300208) is 3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-4-cyanophenyl]-2-carbazol-9-ylbenzonitrile.
What is the SMILES notation for 3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-4-cyanophenyl]-2-carbazol-9-ylbenzonitrile?
The canonical SMILES for 3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-4-cyanophenyl]-2-carbazol-9-ylbenzonitrile is N#Cc1ccc(-c2cccc(C#N)c2-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3cc4oc5ccccc5c4cc32)c1.
What is the InChIKey of 3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-4-cyanophenyl]-2-carbazol-9-ylbenzonitrile?
The InChIKey is NXSAAJSKTMCVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24N4O/c45-25-27-20-21-32(34-15-9-10-28(26-46)44(34)48-38-17-6-1-11-29(38)30-12-2-7-18-39(30)48)40(22-27)47-37-16-5-3-13-31(37)35-24-43-36(23-41(35)47)33-14-4-8-19-42(33)49-43/h1-24H.
What are the key properties of 3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-4-cyanophenyl]-2-carbazol-9-ylbenzonitrile?
3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-4-cyanophenyl]-2-carbazol-9-ylbenzonitrile 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 3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-4-cyanophenyl]-2-carbazol-9-ylbenzonitrile is sourced from PubChem (CID 129300208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).