6-carbazol-9-yl-1-dibenzothiophen-2-yldibenzofuran-4-carbonitrile

C37H20N2OS — CID 147072879

IUPAC6-carbazol-9-yl-1-dibenzothiophen-2-yldibenzofuran-4-carbonitrile
SMILESN#Cc1ccc(-c2ccc3sc4ccccc4c3c2)c2c1oc1c(-n3c4ccccc4c4ccccc43)cccc12
InChIInChI=1S/C37H20N2OS/c38-21-23-16-18-24(22-17-19-34-29(20-22)27-10-3-6-15-33(27)41-34)35-28-11-7-14-32(37(28)40-36(23)35)39-30-12-4-1-8-25(30)26-9-2-5-13-31(26)39/h1-20H
InChIKeyBFJVMTNRNBCINM-UHFFFAOYSA-N
MW540.65 g/mol
LogP10.59
Rot. Bonds2

About 6-carbazol-9-yl-1-dibenzothiophen-2-yldibenzofuran-4-carbonitrile

6-carbazol-9-yl-1-dibenzothiophen-2-yldibenzofuran-4-carbonitrile (PubChem CID 147072879) has the molecular formula C37H20N2OS and a molecular weight of 540.65 g/mol. Its IUPAC name is 6-carbazol-9-yl-1-dibenzothiophen-2-yldibenzofuran-4-carbonitrile.

Molecular Properties

Compound Name6-carbazol-9-yl-1-dibenzothiophen-2-yldibenzofuran-4-carbonitrile
PubChem CID147072879
Molecular FormulaC37H20N2OS
Molecular Weight540.65 g/mol
Exact Mass540.13
IUPAC Name6-carbazol-9-yl-1-dibenzothiophen-2-yldibenzofuran-4-carbonitrile
SMILESN#Cc1ccc(-c2ccc3sc4ccccc4c3c2)c2c1oc1c(-n3c4ccccc4c4ccccc43)cccc12
InChIInChI=1S/C37H20N2OS/c38-21-23-16-18-24(22-17-19-34-29(20-22)27-10-3-6-15-33(27)41-34)35-28-11-7-14-32(37(28)40-36(23)35)39-30-12-4-1-8-25(30)26-9-2-5-13-31(26)39/h1-20H
InChIKeyBFJVMTNRNBCINM-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

1-dibenzothiophen-4-yl-6-(3-phenylcarbazol-9-yl)dibenzofuran-4-carbonitrile
CID 147581589
6-carbazol-9-yl-2-dibenzothiophen-3-yldibenzofuran-4-carbonitrile
CID 149287115
9-(6-cyano-8-dibenzothiophen-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile
CID 146810331
2-(3-dibenzothiophen-2-ylcarbazol-9-yl)benzonitrile
CID 122576000
9-(8-dibenzothiophen-2-yl-6-phenyldibenzofuran-4-yl)carbazole-2-carbonitrile
CID 147995432
9-[5-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole
CID 164707515
9-(8-dibenzothiophen-2-yl-6-isocyanodibenzofuran-4-yl)carbazole
CID 161065016
8-(2-carbazol-9-ylphenyl)dibenzothiophene-3-carbonitrile
CID 126577581
9-[6-dibenzothiophen-2-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenylcarbazole
CID 168721833
2-carbazol-9-yl-3-(4-cyano-3-dibenzothiophen-2-ylphenyl)benzonitrile;3-(2-carbazol-9-ylphenyl)-5-dibenzothiophen-2-ylbenzonitrile;4-(2-carbazol-9-ylphenyl)-2-dibenzothiophen-2-ylbenzonitrile
CID 163585093
9-(9-dibenzothiophen-1-yldibenzofuran-4-yl)carbazole-2-carbonitrile;9-(9-dibenzothiophen-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile;9-(9-dibenzothiophen-3-yldibenzofuran-4-yl)carbazole-2-carbonitrile;9-(9-dibenzothiophen-4-yldibenzofuran-4-yl)-3,6-dimethylcarbazole
CID 160666840
9-(8-dibenzothiophen-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 147349483

Frequently Asked Questions

What is the IUPAC name of 6-carbazol-9-yl-1-dibenzothiophen-2-yldibenzofuran-4-carbonitrile?
The IUPAC name of 6-carbazol-9-yl-1-dibenzothiophen-2-yldibenzofuran-4-carbonitrile (CID 147072879) is 6-carbazol-9-yl-1-dibenzothiophen-2-yldibenzofuran-4-carbonitrile.
What is the SMILES notation for 6-carbazol-9-yl-1-dibenzothiophen-2-yldibenzofuran-4-carbonitrile?
The canonical SMILES for 6-carbazol-9-yl-1-dibenzothiophen-2-yldibenzofuran-4-carbonitrile is N#Cc1ccc(-c2ccc3sc4ccccc4c3c2)c2c1oc1c(-n3c4ccccc4c4ccccc43)cccc12.
What is the InChIKey of 6-carbazol-9-yl-1-dibenzothiophen-2-yldibenzofuran-4-carbonitrile?
The InChIKey is BFJVMTNRNBCINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H20N2OS/c38-21-23-16-18-24(22-17-19-34-29(20-22)27-10-3-6-15-33(27)41-34)35-28-11-7-14-32(37(28)40-36(23)35)39-30-12-4-1-8-25(30)26-9-2-5-13-31(26)39/h1-20H.
What are the key properties of 6-carbazol-9-yl-1-dibenzothiophen-2-yldibenzofuran-4-carbonitrile?
6-carbazol-9-yl-1-dibenzothiophen-2-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-1-dibenzothiophen-2-yldibenzofuran-4-carbonitrile is sourced from PubChem (CID 147072879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).