6-carbazol-9-yl-2-dibenzothiophen-3-yldibenzofuran-4-carbonitrile

C37H20N2OS — CID 149287115

IUPAC6-carbazol-9-yl-2-dibenzothiophen-3-yldibenzofuran-4-carbonitrile
SMILESN#Cc1cc(-c2ccc3c(c2)sc2ccccc23)cc2c1oc1c(-n3c4ccccc4c4ccccc43)cccc12
InChIInChI=1S/C37H20N2OS/c38-21-24-18-23(22-16-17-28-27-10-3-6-15-34(27)41-35(28)20-22)19-30-29-11-7-14-33(37(29)40-36(24)30)39-31-12-4-1-8-25(31)26-9-2-5-13-32(26)39/h1-20H
InChIKeyXUCNSTXWLNDMDQ-UHFFFAOYSA-N
MW540.65 g/mol
LogP10.59
Rot. Bonds2

About 6-carbazol-9-yl-2-dibenzothiophen-3-yldibenzofuran-4-carbonitrile

6-carbazol-9-yl-2-dibenzothiophen-3-yldibenzofuran-4-carbonitrile (PubChem CID 149287115) has the molecular formula C37H20N2OS and a molecular weight of 540.65 g/mol. Its IUPAC name is 6-carbazol-9-yl-2-dibenzothiophen-3-yldibenzofuran-4-carbonitrile.

Molecular Properties

Compound Name6-carbazol-9-yl-2-dibenzothiophen-3-yldibenzofuran-4-carbonitrile
PubChem CID149287115
Molecular FormulaC37H20N2OS
Molecular Weight540.65 g/mol
Exact Mass540.13
IUPAC Name6-carbazol-9-yl-2-dibenzothiophen-3-yldibenzofuran-4-carbonitrile
SMILESN#Cc1cc(-c2ccc3c(c2)sc2ccccc23)cc2c1oc1c(-n3c4ccccc4c4ccccc43)cccc12
InChIInChI=1S/C37H20N2OS/c38-21-24-18-23(22-16-17-28-27-10-3-6-15-34(27)41-35(28)20-22)19-30-29-11-7-14-33(37(29)40-36(24)30)39-31-12-4-1-8-25(31)26-9-2-5-13-32(26)39/h1-20H
InChIKeyXUCNSTXWLNDMDQ-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-(6-cyano-8-dibenzothiophen-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile
CID 146810331
9-(7-dibenzothiophen-3-yldibenzofuran-4-yl)carbazole
CID 170284863
9-(8-dibenzothiophen-2-yl-6-phenyldibenzofuran-4-yl)carbazole-2-carbonitrile
CID 147995432
9-(6-cyano-8-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile
CID 149228973
6-carbazol-9-yl-1-dibenzothiophen-2-yldibenzofuran-4-carbonitrile
CID 147072879
9-(8-dibenzothiophen-2-yl-6-isocyanodibenzofuran-4-yl)carbazole
CID 161065016
6-carbazol-9-yl-2-dibenzofuran-4-yldibenzofuran-4-carbonitrile
CID 147298764
6-carbazol-9-yl-2-dibenzofuran-1-yldibenzofuran-4-carbonitrile
CID 153148571
2-(3-dibenzothiophen-2-ylcarbazol-9-yl)benzonitrile
CID 122576000
6-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazol-9-yl]dibenzothiophene-4-carbonitrile
CID 90194308
9-(8-dibenzothiophen-1-yl-6-phenyldibenzofuran-4-yl)-3-phenylcarbazole;9-(8-dibenzothiophen-2-yl-6-phenyldibenzofuran-4-yl)-3-phenylcarbazole;9-(8-dibenzothiophen-3-yl-6-phenyldibenzofuran-4-yl)-3-phenylcarbazole;9-(8-dibenzothiophen-4-yl-6-phenyldibenzofuran-4-yl)-3-phenylcarbazole
CID 157074673
1-dibenzothiophen-4-yl-6-(3-phenylcarbazol-9-yl)dibenzofuran-4-carbonitrile
CID 147581589

Frequently Asked Questions

What is the IUPAC name of 6-carbazol-9-yl-2-dibenzothiophen-3-yldibenzofuran-4-carbonitrile?
The IUPAC name of 6-carbazol-9-yl-2-dibenzothiophen-3-yldibenzofuran-4-carbonitrile (CID 149287115) is 6-carbazol-9-yl-2-dibenzothiophen-3-yldibenzofuran-4-carbonitrile.
What is the SMILES notation for 6-carbazol-9-yl-2-dibenzothiophen-3-yldibenzofuran-4-carbonitrile?
The canonical SMILES for 6-carbazol-9-yl-2-dibenzothiophen-3-yldibenzofuran-4-carbonitrile is N#Cc1cc(-c2ccc3c(c2)sc2ccccc23)cc2c1oc1c(-n3c4ccccc4c4ccccc43)cccc12.
What is the InChIKey of 6-carbazol-9-yl-2-dibenzothiophen-3-yldibenzofuran-4-carbonitrile?
The InChIKey is XUCNSTXWLNDMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H20N2OS/c38-21-24-18-23(22-16-17-28-27-10-3-6-15-34(27)41-35(28)20-22)19-30-29-11-7-14-33(37(29)40-36(24)30)39-31-12-4-1-8-25(31)26-9-2-5-13-32(26)39/h1-20H.
What are the key properties of 6-carbazol-9-yl-2-dibenzothiophen-3-yldibenzofuran-4-carbonitrile?
6-carbazol-9-yl-2-dibenzothiophen-3-yldibenzofuran-4-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 6-carbazol-9-yl-2-dibenzothiophen-3-yldibenzofuran-4-carbonitrile is sourced from PubChem (CID 149287115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).