8-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]dibenzothiophene-2-carbonitrile

C42H23N3OS — CID 89436586

IUPAC8-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]dibenzothiophene-2-carbonitrile
SMILESN#Cc1ccc2sc3ccc(-c4cncc(-c5ccc6oc7ccc(-n8c9ccccc9c9ccccc98)cc7c6c5)c4)cc3c2c1
InChIInChI=1S/C42H23N3OS/c43-22-25-9-15-41-35(17-25)36-20-27(11-16-42(36)47-41)29-18-28(23-44-24-29)26-10-13-39-33(19-26)34-21-30(12-14-40(34)46-39)45-37-7-3-1-5-31(37)32-6-2-4-8-38(32)45/h1-21,23-24H
InChIKeyHAESXKAWGBSNFR-UHFFFAOYSA-N
MW617.73 g/mol
LogP11.65
Rot. Bonds3

About 8-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]dibenzothiophene-2-carbonitrile

8-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]dibenzothiophene-2-carbonitrile (PubChem CID 89436586) has the molecular formula C42H23N3OS and a molecular weight of 617.73 g/mol. Its IUPAC name is 8-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]dibenzothiophene-2-carbonitrile.

Molecular Properties

Compound Name8-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]dibenzothiophene-2-carbonitrile
PubChem CID89436586
Molecular FormulaC42H23N3OS
Molecular Weight617.73 g/mol
Exact Mass617.16
IUPAC Name8-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]dibenzothiophene-2-carbonitrile
SMILESN#Cc1ccc2sc3ccc(-c4cncc(-c5ccc6oc7ccc(-n8c9ccccc9c9ccccc98)cc7c6c5)c4)cc3c2c1
InChIInChI=1S/C42H23N3OS/c43-22-25-9-15-41-35(17-25)36-20-27(11-16-42(36)47-41)29-18-28(23-44-24-29)26-10-13-39-33(19-26)34-21-30(12-14-40(34)46-39)45-37-7-3-1-5-31(37)32-6-2-4-8-38(32)45/h1-21,23-24H
InChIKeyHAESXKAWGBSNFR-UHFFFAOYSA-N
XLogP11.65
TPSA54.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.73
LogP ≤ 511.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[8-[8-(2-cyanocarbazol-9-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole-2-carbonitrile
CID 118396690
3-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]-9-[8-[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazol-9-yl]dibenzothiophen-2-yl]carbazole
CID 152935569
4-[3-(8-carbazol-9-yldibenzothiophen-2-yl)carbazol-9-yl]benzonitrile
CID 122576030
4-[8-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-2-yl]benzonitrile
CID 122576052
3-(8-carbazol-9-yldibenzofuran-2-yl)benzonitrile
CID 122575991
9-[8-(3-cyanocarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile
CID 118386470
9-(8-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile
CID 118396755
9-[8-[8-(3-methylcarbazol-9-yl)dibenzothiophen-2-yl]dibenzothiophen-2-yl]carbazole-3-carbonitrile
CID 118396704
2-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]-9-phenylcarbazole
CID 89433782
3-[8-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-2-yl]benzonitrile
CID 122576049
9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile
CID 139303898
9-(8-carbazol-9-yldibenzofuran-2-yl)-3-[3-[9-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]phenyl]carbazole;9-(8-carbazol-9-yldibenzofuran-2-yl)-3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole;9-(8-carbazol-9-yldibenzothiophen-2-yl)-3-(4-dibenzofuran-2-ylphenyl)carbazole;3,6-diphenyl-9-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]carbazole
CID 160619262

Frequently Asked Questions

What is the IUPAC name of 8-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]dibenzothiophene-2-carbonitrile?
The IUPAC name of 8-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]dibenzothiophene-2-carbonitrile (CID 89436586) is 8-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]dibenzothiophene-2-carbonitrile.
What is the SMILES notation for 8-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]dibenzothiophene-2-carbonitrile?
The canonical SMILES for 8-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]dibenzothiophene-2-carbonitrile is N#Cc1ccc2sc3ccc(-c4cncc(-c5ccc6oc7ccc(-n8c9ccccc9c9ccccc98)cc7c6c5)c4)cc3c2c1.
What is the InChIKey of 8-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]dibenzothiophene-2-carbonitrile?
The InChIKey is HAESXKAWGBSNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H23N3OS/c43-22-25-9-15-41-35(17-25)36-20-27(11-16-42(36)47-41)29-18-28(23-44-24-29)26-10-13-39-33(19-26)34-21-30(12-14-40(34)46-39)45-37-7-3-1-5-31(37)32-6-2-4-8-38(32)45/h1-21,23-24H.
What are the key properties of 8-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]dibenzothiophene-2-carbonitrile?
8-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]dibenzothiophene-2-carbonitrile has a molecular weight of 617.73 g/mol, XLogP of 11.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]dibenzothiophene-2-carbonitrile is sourced from PubChem (CID 89436586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).