4-carbazol-9-yl-3-(7,7-dimethyl-4a,12b-dihydrofluoreno[2,3-b][1]benzofuran-2-yl)benzonitrile

C40H28N2O — CID 126596379

IUPAC4-carbazol-9-yl-3-(7,7-dimethyl-4a,12b-dihydrofluoreno[2,3-b][1]benzofuran-2-yl)benzonitrile
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)OC1C=CC(c2cc(C#N)ccc2-n2c4ccccc4c4ccccc42)=CC31
InChIInChI=1S/C40H28N2O/c1-40(2)33-12-6-3-9-26(33)30-21-32-31-20-25(16-18-38(31)43-39(32)22-34(30)40)29-19-24(23-41)15-17-37(29)42-35-13-7-4-10-27(35)28-11-5-8-14-36(28)42/h3-22,31,38H,1-2H3
InChIKeyBSDCEEASIHUDTG-UHFFFAOYSA-N
MW552.68 g/mol
LogP9.46
Rot. Bonds2

About 4-carbazol-9-yl-3-(7,7-dimethyl-4a,12b-dihydrofluoreno[2,3-b][1]benzofuran-2-yl)benzonitrile

4-carbazol-9-yl-3-(7,7-dimethyl-4a,12b-dihydrofluoreno[2,3-b][1]benzofuran-2-yl)benzonitrile (PubChem CID 126596379) has the molecular formula C40H28N2O and a molecular weight of 552.68 g/mol. Its IUPAC name is 4-carbazol-9-yl-3-(7,7-dimethyl-4a,12b-dihydrofluoreno[2,3-b][1]benzofuran-2-yl)benzonitrile.

Molecular Properties

Compound Name4-carbazol-9-yl-3-(7,7-dimethyl-4a,12b-dihydrofluoreno[2,3-b][1]benzofuran-2-yl)benzonitrile
PubChem CID126596379
Molecular FormulaC40H28N2O
Molecular Weight552.68 g/mol
Exact Mass552.22
IUPAC Name4-carbazol-9-yl-3-(7,7-dimethyl-4a,12b-dihydrofluoreno[2,3-b][1]benzofuran-2-yl)benzonitrile
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)OC1C=CC(c2cc(C#N)ccc2-n2c4ccccc4c4ccccc42)=CC31
InChIInChI=1S/C40H28N2O/c1-40(2)33-12-6-3-9-26(33)30-21-32-31-20-25(16-18-38(31)43-39(32)22-34(30)40)29-19-24(23-41)15-17-37(29)42-35-13-7-4-10-27(35)28-11-5-8-14-36(28)42/h3-22,31,38H,1-2H3
InChIKeyBSDCEEASIHUDTG-UHFFFAOYSA-N
XLogP9.46
TPSA37.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.68
LogP ≤ 59.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-carbazol-9-yl-3-(7,7-dimethyl-4a,12b-dihydrofluoreno[2,3-b][1]benzofuran-2-yl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-carbazol-9-yl-3-[5-cyano-2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile
CID 129300013
2-carbazol-9-yl-5-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)benzene-1,4-dicarbonitrile
CID 121328841
4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,3-dicarbonitrile
CID 121329211
3-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-4-isocyanobenzonitrile
CID 153462160
4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-[2-(9H-fluoren-9-yl)ethyl]benzene-1,2-dicarbonitrile
CID 163528991
3,6-bis(4-cyanophenyl)-4,5-bis(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,2-dicarbonitrile
CID 167165436
2,5-bis(4-cyanophenyl)-4,6-bis(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,3-dicarbonitrile
CID 164819642
9-[2-cyano-6-(7,7-dimethyl-3,4-dihydrofluoreno[2,3-b][1]benzofuran-3-yl)phenyl]carbazole-3-carbonitrile
CID 126582535
4-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-3-[2-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzonitrile
CID 164743889
3-carbazol-9-yl-5-[3-cyano-5-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile
CID 168783318
9-[3-cyano-2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]carbazole-3-carbonitrile
CID 126582541
9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-2-carbonitrile
CID 154958354

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-3-(7,7-dimethyl-4a,12b-dihydrofluoreno[2,3-b][1]benzofuran-2-yl)benzonitrile?
The IUPAC name of 4-carbazol-9-yl-3-(7,7-dimethyl-4a,12b-dihydrofluoreno[2,3-b][1]benzofuran-2-yl)benzonitrile (CID 126596379) is 4-carbazol-9-yl-3-(7,7-dimethyl-4a,12b-dihydrofluoreno[2,3-b][1]benzofuran-2-yl)benzonitrile.
What is the SMILES notation for 4-carbazol-9-yl-3-(7,7-dimethyl-4a,12b-dihydrofluoreno[2,3-b][1]benzofuran-2-yl)benzonitrile?
The canonical SMILES for 4-carbazol-9-yl-3-(7,7-dimethyl-4a,12b-dihydrofluoreno[2,3-b][1]benzofuran-2-yl)benzonitrile is CC1(C)c2ccccc2-c2cc3c(cc21)OC1C=CC(c2cc(C#N)ccc2-n2c4ccccc4c4ccccc42)=CC31.
What is the InChIKey of 4-carbazol-9-yl-3-(7,7-dimethyl-4a,12b-dihydrofluoreno[2,3-b][1]benzofuran-2-yl)benzonitrile?
The InChIKey is BSDCEEASIHUDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N2O/c1-40(2)33-12-6-3-9-26(33)30-21-32-31-20-25(16-18-38(31)43-39(32)22-34(30)40)29-19-24(23-41)15-17-37(29)42-35-13-7-4-10-27(35)28-11-5-8-14-36(28)42/h3-22,31,38H,1-2H3.
What are the key properties of 4-carbazol-9-yl-3-(7,7-dimethyl-4a,12b-dihydrofluoreno[2,3-b][1]benzofuran-2-yl)benzonitrile?
4-carbazol-9-yl-3-(7,7-dimethyl-4a,12b-dihydrofluoreno[2,3-b][1]benzofuran-2-yl)benzonitrile has a molecular weight of 552.68 g/mol, XLogP of 9.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-3-(7,7-dimethyl-4a,12b-dihydrofluoreno[2,3-b][1]benzofuran-2-yl)benzonitrile is sourced from PubChem (CID 126596379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).