9-(9-dibenzofuran-4-yldibenzothiophen-4-yl)carbazole-3-carbonitrile

C37H20N2OS — CID 153204329

IUPAC9-(9-dibenzofuran-4-yldibenzothiophen-4-yl)carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cccc2c1sc1cccc(-c3cccc4c3oc3ccccc34)c12
InChIInChI=1S/C37H20N2OS/c38-21-22-18-19-31-29(20-22)23-8-1-3-14-30(23)39(31)32-15-6-13-28-35-25(10-7-17-34(35)41-37(28)32)27-12-5-11-26-24-9-2-4-16-33(24)40-36(26)27/h1-20H
InChIKeyWKNGMWXLUSXSHI-UHFFFAOYSA-N
MW540.65 g/mol
LogP10.59
Rot. Bonds2

About 9-(9-dibenzofuran-4-yldibenzothiophen-4-yl)carbazole-3-carbonitrile

9-(9-dibenzofuran-4-yldibenzothiophen-4-yl)carbazole-3-carbonitrile (PubChem CID 153204329) has the molecular formula C37H20N2OS and a molecular weight of 540.65 g/mol. Its IUPAC name is 9-(9-dibenzofuran-4-yldibenzothiophen-4-yl)carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-(9-dibenzofuran-4-yldibenzothiophen-4-yl)carbazole-3-carbonitrile
PubChem CID153204329
Molecular FormulaC37H20N2OS
Molecular Weight540.65 g/mol
Exact Mass540.13
IUPAC Name9-(9-dibenzofuran-4-yldibenzothiophen-4-yl)carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cccc2c1sc1cccc(-c3cccc4c3oc3ccccc34)c12
InChIInChI=1S/C37H20N2OS/c38-21-22-18-19-31-29(20-22)23-8-1-3-14-30(23)39(31)32-15-6-13-28-35-25(10-7-17-34(35)41-37(28)32)27-12-5-11-26-24-9-2-4-16-33(24)40-36(26)27/h1-20H
InChIKeyWKNGMWXLUSXSHI-UHFFFAOYSA-N
XLogP10.59
TPSA41.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.65
LogP ≤ 510.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(8-dibenzothiophen-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 147349483
9-(8-dibenzofuran-1-yldibenzothiophen-4-yl)carbazole-3-carbonitrile;9-(8-dibenzofuran-2-yldibenzothiophen-4-yl)carbazole-3-carbonitrile;9-(8-dibenzofuran-3-yldibenzothiophen-4-yl)-2-phenylcarbazole;9-(8-dibenzofuran-4-yldibenzothiophen-4-yl)-2-phenylcarbazole
CID 158620921
9-(9-dibenzofuran-2-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzofuran-3-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzofuran-4-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole
CID 158920444
9-(6-cyano-8-dibenzofuran-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 149026913
9-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazole-3-carbonitrile
CID 118396713
9-(6-carbazol-9-yldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 134337735
9-(9-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 147906665
3-dibenzofuran-4-yl-9-dibenzothiophen-1-ylcarbazole
CID 118458137
N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N-phenylaniline;N-[4-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 159898925
9-(9-dibenzothiophen-3-yldibenzothiophen-4-yl)carbazole-2-carbonitrile
CID 153168563
3-[3-dibenzofuran-4-yl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]benzonitrile;2-dibenzofuran-4-yl-9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;2-dibenzothiophen-4-yl-9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 160766797
N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-(4-dibenzothiophen-4-ylphenyl)anilino)phenyl]-N-phenylaniline;N-[4-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 164969143

Frequently Asked Questions

What is the IUPAC name of 9-(9-dibenzofuran-4-yldibenzothiophen-4-yl)carbazole-3-carbonitrile?
The IUPAC name of 9-(9-dibenzofuran-4-yldibenzothiophen-4-yl)carbazole-3-carbonitrile (CID 153204329) is 9-(9-dibenzofuran-4-yldibenzothiophen-4-yl)carbazole-3-carbonitrile.
What is the SMILES notation for 9-(9-dibenzofuran-4-yldibenzothiophen-4-yl)carbazole-3-carbonitrile?
The canonical SMILES for 9-(9-dibenzofuran-4-yldibenzothiophen-4-yl)carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1cccc2c1sc1cccc(-c3cccc4c3oc3ccccc34)c12.
What is the InChIKey of 9-(9-dibenzofuran-4-yldibenzothiophen-4-yl)carbazole-3-carbonitrile?
The InChIKey is WKNGMWXLUSXSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H20N2OS/c38-21-22-18-19-31-29(20-22)23-8-1-3-14-30(23)39(31)32-15-6-13-28-35-25(10-7-17-34(35)41-37(28)32)27-12-5-11-26-24-9-2-4-16-33(24)40-36(26)27/h1-20H.
What are the key properties of 9-(9-dibenzofuran-4-yldibenzothiophen-4-yl)carbazole-3-carbonitrile?
9-(9-dibenzofuran-4-yldibenzothiophen-4-yl)carbazole-3-carbonitrile has a molecular weight of 540.65 g/mol, XLogP of 10.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9-dibenzofuran-4-yldibenzothiophen-4-yl)carbazole-3-carbonitrile is sourced from PubChem (CID 153204329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).