3-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-3-cyanophenyl]-2-carbazol-9-ylbenzonitrile

C44H24N4O — CID 129299824

IUPAC3-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-3-cyanophenyl]-2-carbazol-9-ylbenzonitrile
SMILESN#Cc1cc(-c2cccc(C#N)c2-n2c3ccccc3c3ccccc32)ccc1-n1c2ccccc2c2ccc3c4ccccc4oc3c21
InChIInChI=1S/C44H24N4O/c45-25-28-10-9-15-30(42(28)48-38-16-5-1-11-31(38)32-12-2-6-17-39(32)48)27-20-23-37(29(24-27)26-46)47-40-18-7-3-13-33(40)35-21-22-36-34-14-4-8-19-41(34)49-44(36)43(35)47/h1-24H
InChIKeyIVCRJQFWDDGADU-UHFFFAOYSA-N
MW624.70 g/mol
LogP11.19
Rot. Bonds3

About 3-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-3-cyanophenyl]-2-carbazol-9-ylbenzonitrile

3-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-3-cyanophenyl]-2-carbazol-9-ylbenzonitrile (PubChem CID 129299824) has the molecular formula C44H24N4O and a molecular weight of 624.70 g/mol. Its IUPAC name is 3-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-3-cyanophenyl]-2-carbazol-9-ylbenzonitrile.

Molecular Properties

Compound Name3-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-3-cyanophenyl]-2-carbazol-9-ylbenzonitrile
PubChem CID129299824
Molecular FormulaC44H24N4O
Molecular Weight624.70 g/mol
Exact Mass624.20
IUPAC Name3-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-3-cyanophenyl]-2-carbazol-9-ylbenzonitrile
SMILESN#Cc1cc(-c2cccc(C#N)c2-n2c3ccccc3c3ccccc32)ccc1-n1c2ccccc2c2ccc3c4ccccc4oc3c21
InChIInChI=1S/C44H24N4O/c45-25-28-10-9-15-30(42(28)48-38-16-5-1-11-31(38)32-12-2-6-17-39(32)48)27-20-23-37(29(24-27)26-46)47-40-18-7-3-13-33(40)35-21-22-36-34-14-4-8-19-41(34)49-44(36)43(35)47/h1-24H
InChIKeyIVCRJQFWDDGADU-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

5-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-3-cyanophenyl]-2-carbazol-9-ylbenzonitrile
CID 129290853
2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-(4-carbazol-9-yl-3-isocyanophenyl)benzonitrile
CID 140793922
2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-cyanophenyl]benzonitrile
CID 129300362
2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-isocyanophenyl]benzonitrile
CID 140794021
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
2-carbazol-9-yl-3-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]benzonitrile
CID 155080383
2,3,5-tri(carbazol-9-yl)-6-(2-naphthalen-1-yl-[1]benzofuro[2,3-a]carbazol-12-yl)benzene-1,4-dicarbonitrile
CID 166567049
2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-[4-[2-[2-(2-methylphenyl)phenyl]ethyl]phenyl]benzonitrile
CID 148741156
2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-cyanophenyl]benzonitrile
CID 129291160
4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-3-cyanophenyl]-2-dibenzothiophen-4-yl-6-phenylpyrimidine-5-carbonitrile
CID 170253179
2-carbazol-9-yl-3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-3-yl)benzonitrile
CID 126577673
2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-(3-fluorocarbazol-9-yl)phenyl]benzonitrile
CID 129291110

Frequently Asked Questions

What is the IUPAC name of 3-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-3-cyanophenyl]-2-carbazol-9-ylbenzonitrile?
The IUPAC name of 3-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-3-cyanophenyl]-2-carbazol-9-ylbenzonitrile (CID 129299824) is 3-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-3-cyanophenyl]-2-carbazol-9-ylbenzonitrile.
What is the SMILES notation for 3-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-3-cyanophenyl]-2-carbazol-9-ylbenzonitrile?
The canonical SMILES for 3-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-3-cyanophenyl]-2-carbazol-9-ylbenzonitrile is N#Cc1cc(-c2cccc(C#N)c2-n2c3ccccc3c3ccccc32)ccc1-n1c2ccccc2c2ccc3c4ccccc4oc3c21.
What is the InChIKey of 3-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-3-cyanophenyl]-2-carbazol-9-ylbenzonitrile?
The InChIKey is IVCRJQFWDDGADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24N4O/c45-25-28-10-9-15-30(42(28)48-38-16-5-1-11-31(38)32-12-2-6-17-39(32)48)27-20-23-37(29(24-27)26-46)47-40-18-7-3-13-33(40)35-21-22-36-34-14-4-8-19-41(34)49-44(36)43(35)47/h1-24H.
What are the key properties of 3-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-3-cyanophenyl]-2-carbazol-9-ylbenzonitrile?
3-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-3-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-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-3-cyanophenyl]-2-carbazol-9-ylbenzonitrile is sourced from PubChem (CID 129299824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).