3-carbazol-9-yl-2-[8-(4,6-diphenyl-2-pyridinyl)dibenzothiophen-2-yl]benzonitrile

C48H29N3S — CID 122575895

IUPAC3-carbazol-9-yl-2-[8-(4,6-diphenyl-2-pyridinyl)dibenzothiophen-2-yl]benzonitrile
SMILESN#Cc1cccc(-n2c3ccccc3c3ccccc32)c1-c1ccc2sc3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)cc3c2c1
InChIInChI=1S/C48H29N3S/c49-30-35-16-11-21-45(51-43-19-9-7-17-37(43)38-18-8-10-20-44(38)51)48(35)34-23-25-47-40(27-34)39-26-33(22-24-46(39)52-47)42-29-36(31-12-3-1-4-13-31)28-41(50-42)32-14-5-2-6-15-32/h1-29H
InChIKeyCRYGMJVULUMFNZ-UHFFFAOYSA-N
MW679.85 g/mol
LogP13.09
Rot. Bonds5

About 3-carbazol-9-yl-2-[8-(4,6-diphenyl-2-pyridinyl)dibenzothiophen-2-yl]benzonitrile

3-carbazol-9-yl-2-[8-(4,6-diphenyl-2-pyridinyl)dibenzothiophen-2-yl]benzonitrile (PubChem CID 122575895) has the molecular formula C48H29N3S and a molecular weight of 679.85 g/mol. Its IUPAC name is 3-carbazol-9-yl-2-[8-(4,6-diphenyl-2-pyridinyl)dibenzothiophen-2-yl]benzonitrile.

Molecular Properties

Compound Name3-carbazol-9-yl-2-[8-(4,6-diphenyl-2-pyridinyl)dibenzothiophen-2-yl]benzonitrile
PubChem CID122575895
Molecular FormulaC48H29N3S
Molecular Weight679.85 g/mol
Exact Mass679.21
IUPAC Name3-carbazol-9-yl-2-[8-(4,6-diphenyl-2-pyridinyl)dibenzothiophen-2-yl]benzonitrile
SMILESN#Cc1cccc(-n2c3ccccc3c3ccccc32)c1-c1ccc2sc3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)cc3c2c1
InChIInChI=1S/C48H29N3S/c49-30-35-16-11-21-45(51-43-19-9-7-17-37(43)38-18-8-10-20-44(38)51)48(35)34-23-25-47-40(27-34)39-26-33(22-24-46(39)52-47)42-29-36(31-12-3-1-4-13-31)28-41(50-42)32-14-5-2-6-15-32/h1-29H
InChIKeyCRYGMJVULUMFNZ-UHFFFAOYSA-N
XLogP13.09
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.85
LogP ≤ 513.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-carbazol-9-yl-2-[8-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]benzonitrile
CID 122575905
2-carbazol-9-yl-3-[8-(4,6-diphenyl-2-pyridinyl)dibenzothiophen-2-yl]benzonitrile
CID 122575973
2-dibenzofuran-2-yl-3-[3-(4,6-diphenylpyrimidin-2-yl)carbazol-9-yl]benzonitrile
CID 122575891
2-(3-dibenzothiophen-2-ylcarbazol-9-yl)benzonitrile
CID 122576000
9-dibenzothiophen-1-yl-3-(2,6-diphenylpyrimidin-4-yl)carbazole
CID 90291697
2-[4-[4-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]phenyl]quinoline-4-carbonitrile
CID 121337928
2-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155357564
2-(4,6-diphenylpyrimidin-2-yl)-4,5-bis(3-phenylcarbazol-9-yl)benzonitrile
CID 155217531
2-[9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]benzonitrile
CID 155463317
3-[8-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;methane
CID 161295747
9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 146725670
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4,6-diphenyl-2-pyridinyl)carbazole
CID 118014177

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-2-[8-(4,6-diphenyl-2-pyridinyl)dibenzothiophen-2-yl]benzonitrile?
The IUPAC name of 3-carbazol-9-yl-2-[8-(4,6-diphenyl-2-pyridinyl)dibenzothiophen-2-yl]benzonitrile (CID 122575895) is 3-carbazol-9-yl-2-[8-(4,6-diphenyl-2-pyridinyl)dibenzothiophen-2-yl]benzonitrile.
What is the SMILES notation for 3-carbazol-9-yl-2-[8-(4,6-diphenyl-2-pyridinyl)dibenzothiophen-2-yl]benzonitrile?
The canonical SMILES for 3-carbazol-9-yl-2-[8-(4,6-diphenyl-2-pyridinyl)dibenzothiophen-2-yl]benzonitrile is N#Cc1cccc(-n2c3ccccc3c3ccccc32)c1-c1ccc2sc3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)cc3c2c1.
What is the InChIKey of 3-carbazol-9-yl-2-[8-(4,6-diphenyl-2-pyridinyl)dibenzothiophen-2-yl]benzonitrile?
The InChIKey is CRYGMJVULUMFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N3S/c49-30-35-16-11-21-45(51-43-19-9-7-17-37(43)38-18-8-10-20-44(38)51)48(35)34-23-25-47-40(27-34)39-26-33(22-24-46(39)52-47)42-29-36(31-12-3-1-4-13-31)28-41(50-42)32-14-5-2-6-15-32/h1-29H.
What are the key properties of 3-carbazol-9-yl-2-[8-(4,6-diphenyl-2-pyridinyl)dibenzothiophen-2-yl]benzonitrile?
3-carbazol-9-yl-2-[8-(4,6-diphenyl-2-pyridinyl)dibenzothiophen-2-yl]benzonitrile has a molecular weight of 679.85 g/mol, XLogP of 13.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-2-[8-(4,6-diphenyl-2-pyridinyl)dibenzothiophen-2-yl]benzonitrile is sourced from PubChem (CID 122575895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).