9-[3-cyano-2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]carbazole-3-carbonitrile

C41H25N3O — CID 126582541

IUPAC9-[3-cyano-2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]carbazole-3-carbonitrile
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)oc1ccc(-c2c(C#N)cccc2-n2c4ccccc4c4cc(C#N)ccc42)cc13
InChIInChI=1S/C41H25N3O/c1-41(2)33-11-5-3-9-27(33)29-20-32-31-19-25(15-17-38(31)45-39(32)21-34(29)41)40-26(23-43)8-7-13-37(40)44-35-12-6-4-10-28(35)30-18-24(22-42)14-16-36(30)44/h3-21H,1-2H3
InChIKeyUTRYQUGIFHCKCC-UHFFFAOYSA-N
MW575.67 g/mol
LogP10.40
Rot. Bonds2

About 9-[3-cyano-2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]carbazole-3-carbonitrile

9-[3-cyano-2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]carbazole-3-carbonitrile (PubChem CID 126582541) has the molecular formula C41H25N3O and a molecular weight of 575.67 g/mol. Its IUPAC name is 9-[3-cyano-2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[3-cyano-2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]carbazole-3-carbonitrile
PubChem CID126582541
Molecular FormulaC41H25N3O
Molecular Weight575.67 g/mol
Exact Mass575.20
IUPAC Name9-[3-cyano-2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]carbazole-3-carbonitrile
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)oc1ccc(-c2c(C#N)cccc2-n2c4ccccc4c4cc(C#N)ccc42)cc13
InChIInChI=1S/C41H25N3O/c1-41(2)33-11-5-3-9-27(33)29-20-32-31-19-25(15-17-38(31)45-39(32)21-34(29)41)40-26(23-43)8-7-13-37(40)44-35-12-6-4-10-28(35)30-18-24(22-42)14-16-36(30)44/h3-21H,1-2H3
InChIKeyUTRYQUGIFHCKCC-UHFFFAOYSA-N
XLogP10.40
TPSA65.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.67
LogP ≤ 510.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)-3-isocyanophenyl]carbazole-3-carbonitrile
CID 153462882
3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-2-(3-isocyanocarbazol-9-yl)benzonitrile;4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-3-(3-isocyanocarbazol-9-yl)benzonitrile;9-[2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-3-isocyanophenyl]-3-isocyanocarbazole;9-[2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-isocyanophenyl]-3-isocyanocarbazole
CID 158973456
3-(4a,9a-dihydrocarbazol-9-yl)-2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)benzonitrile
CID 126596377
9-[3-cyano-2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)phenyl]-1-methyl-1,2-dihydrocarbazole-3-carbonitrile
CID 126596367
9-[3-cyano-2-(12-phenyl-[1]benzofuro[3,2-a]carbazol-9-yl)phenyl]carbazole-3-carbonitrile
CID 126582483
18-(2-carbazol-9-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-6-carbonitrile
CID 126582417
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
9-[3-[3-(2-carbazol-9-yl-6-cyanophenyl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 155604722
9-[2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-isocyanophenyl]-3-isocyanocarbazole
CID 153462820
2-dibenzofuran-2-yl-3-[3-(4,6-diphenylpyrimidin-2-yl)carbazol-9-yl]benzonitrile
CID 122575891
3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-9-naphthalen-2-ylcarbazole
CID 140907331
9-[2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 149260154

Frequently Asked Questions

What is the IUPAC name of 9-[3-cyano-2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[3-cyano-2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]carbazole-3-carbonitrile (CID 126582541) is 9-[3-cyano-2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[3-cyano-2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[3-cyano-2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]carbazole-3-carbonitrile is CC1(C)c2ccccc2-c2cc3c(cc21)oc1ccc(-c2c(C#N)cccc2-n2c4ccccc4c4cc(C#N)ccc42)cc13.
What is the InChIKey of 9-[3-cyano-2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]carbazole-3-carbonitrile?
The InChIKey is UTRYQUGIFHCKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3O/c1-41(2)33-11-5-3-9-27(33)29-20-32-31-19-25(15-17-38(31)45-39(32)21-34(29)41)40-26(23-43)8-7-13-37(40)44-35-12-6-4-10-28(35)30-18-24(22-42)14-16-36(30)44/h3-21H,1-2H3.
What are the key properties of 9-[3-cyano-2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]carbazole-3-carbonitrile?
9-[3-cyano-2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]carbazole-3-carbonitrile has a molecular weight of 575.67 g/mol, XLogP of 10.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-cyano-2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 126582541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).