2-(5-dibenzothiophen-2-yl-2-pyridinyl)pyridine-4-carbonitrile;4-(6-dibenzothiophen-2-yl-2-pyridinyl)pyridine-2-carbonitrile;5-(6-dibenzothiophen-2-yl-2-pyridinyl)pyridine-3-carbonitrile;2-(8-phenyldibenzothiophen-2-yl)pyridine-4-carbonitrile

C93H53N11S4 — CID 162201404

IUPAC2-(5-dibenzothiophen-2-yl-2-pyridinyl)pyridine-4-carbonitrile;4-(6-dibenzothiophen-2-yl-2-pyridinyl)pyridine-2-carbonitrile;5-(6-dibenzothiophen-2-yl-2-pyridinyl)pyridine-3-carbonitrile;2-(8-phenyldibenzothiophen-2-yl)pyridine-4-carbonitrile
SMILESN#Cc1cc(-c2cccc(-c3ccc4sc5ccccc5c4c3)n2)ccn1.N#Cc1ccnc(-c2ccc(-c3ccc4sc5ccccc5c4c3)cn2)c1.N#Cc1ccnc(-c2ccc3sc4ccc(-c5ccccc5)cc4c3c2)c1.N#Cc1cncc(-c2cccc(-c3ccc4sc5ccccc5c4c3)n2)c1
InChIInChI=1S/C24H14N2S.3C23H13N3S/c25-15-16-10-11-26-22(12-16)19-7-9-24-21(14-19)20-13-18(6-8-23(20)27-24)17-4-2-1-3-5-17;24-12-15-10-17(14-25-13-15)21-6-3-5-20(26-21)16-8-9-23-19(11-16)18-4-1-2-7-22(18)27-23;24-14-17-12-16(10-11-25-17)21-6-3-5-20(26-21)15-8-9-23-19(13-15)18-4-1-2-7-22(18)27-23;24-13-15-9-10-25-21(11-15)20-7-5-17(14-26-20)16-6-8-23-19(12-16)18-3-1-2-4-22(18)27-23/h1-14H;1-11,13-14H;1-13H;1-12,14H
InChIKeyZRQBOYLVGWWRND-UHFFFAOYSA-N
MW1452.79 g/mol
LogP24.81
Rot. Bonds8

About 2-(5-dibenzothiophen-2-yl-2-pyridinyl)pyridine-4-carbonitrile;4-(6-dibenzothiophen-2-yl-2-pyridinyl)pyridine-2-carbonitrile;5-(6-dibenzothiophen-2-yl-2-pyridinyl)pyridine-3-carbonitrile;2-(8-phenyldibenzothiophen-2-yl)pyridine-4-carbonitrile

2-(5-dibenzothiophen-2-yl-2-pyridinyl)pyridine-4-carbonitrile;4-(6-dibenzothiophen-2-yl-2-pyridinyl)pyridine-2-carbonitrile;5-(6-dibenzothiophen-2-yl-2-pyridinyl)pyridine-3-carbonitrile;2-(8-phenyldibenzothiophen-2-yl)pyridine-4-carbonitrile (PubChem CID 162201404) has the molecular formula C93H53N11S4 and a molecular weight of 1452.79 g/mol. Its IUPAC name is 2-(5-dibenzothiophen-2-yl-2-pyridinyl)pyridine-4-carbonitrile;4-(6-dibenzothiophen-2-yl-2-pyridinyl)pyridine-2-carbonitrile;5-(6-dibenzothiophen-2-yl-2-pyridinyl)pyridine-3-carbonitrile;2-(8-phenyldibenzothiophen-2-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(5-dibenzothiophen-2-yl-2-pyridinyl)pyridine-4-carbonitrile;4-(6-dibenzothiophen-2-yl-2-pyridinyl)pyridine-2-carbonitrile;5-(6-dibenzothiophen-2-yl-2-pyridinyl)pyridine-3-carbonitrile;2-(8-phenyldibenzothiophen-2-yl)pyridine-4-carbonitrile
PubChem CID162201404
Molecular FormulaC93H53N11S4
Molecular Weight1452.79 g/mol
Exact Mass1451.34
IUPAC Name2-(5-dibenzothiophen-2-yl-2-pyridinyl)pyridine-4-carbonitrile;4-(6-dibenzothiophen-2-yl-2-pyridinyl)pyridine-2-carbonitrile;5-(6-dibenzothiophen-2-yl-2-pyridinyl)pyridine-3-carbonitrile;2-(8-phenyldibenzothiophen-2-yl)pyridine-4-carbonitrile
SMILESN#Cc1cc(-c2cccc(-c3ccc4sc5ccccc5c4c3)n2)ccn1.N#Cc1ccnc(-c2ccc(-c3ccc4sc5ccccc5c4c3)cn2)c1.N#Cc1ccnc(-c2ccc3sc4ccc(-c5ccccc5)cc4c3c2)c1.N#Cc1cncc(-c2cccc(-c3ccc4sc5ccccc5c4c3)n2)c1
InChIInChI=1S/C24H14N2S.3C23H13N3S/c25-15-16-10-11-26-22(12-16)19-7-9-24-21(14-19)20-13-18(6-8-23(20)27-24)17-4-2-1-3-5-17;24-12-15-10-17(14-25-13-15)21-6-3-5-20(26-21)16-8-9-23-19(11-16)18-4-1-2-7-22(18)27-23;24-14-17-12-16(10-11-25-17)21-6-3-5-20(26-21)15-8-9-23-19(13-15)18-4-1-2-7-22(18)27-23;24-13-15-9-10-25-21(11-15)20-7-5-17(14-26-20)16-6-8-23-19(12-16)18-3-1-2-4-22(18)27-23/h1-14H;1-11,13-14H;1-13H;1-12,14H
InChIKeyZRQBOYLVGWWRND-UHFFFAOYSA-N
XLogP24.81
TPSA185.39 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds8
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001452.79
LogP ≤ 524.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2-(5-dibenzothiophen-2-yl-2-pyridinyl)pyridine-4-carbonitrile;4-(6-dibenzothiophen-2-yl-2-pyridinyl)pyridine-2-carbonitrile;5-(6-dibenzothiophen-2-yl-2-pyridinyl)pyridine-3-carbonitrile;2-(8-phenyldibenzothiophen-2-yl)pyridine-4-carbonitrile with MolForge

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Related Compounds

2-(5-dibenzothiophen-2-yl-2-pyridinyl)pyridine-4-carbonitrile
CID 118397435
5-[6-[8-[6-(5-cyano-3-pyridinyl)-2-pyridinyl]dibenzothiophen-2-yl]-2-pyridinyl]pyridine-3-carbonitrile
CID 118397758
5-[6-(7-phenyldibenzothiophen-3-yl)-2-pyridinyl]pyridine-3-carbonitrile
CID 118397898
5-(6-dibenzothiophen-3-yl-2-pyridinyl)pyridine-3-carbonitrile
CID 118397385
2-[6-[10-[5-(4-isocyano-2-pyridinyl)-2-pyridinyl]-2-phenylanthracen-9-yl]-3-pyridinyl]pyridine-4-carbonitrile;4-[5-[10-[5-(2-isocyano-4-pyridinyl)-3-pyridinyl]-2-phenylanthracen-9-yl]-3-pyridinyl]pyridine-2-carbonitrile;4-[6-[10-[6-(2-isocyano-4-pyridinyl)-2-pyridinyl]-2-phenylanthracen-9-yl]-2-pyridinyl]pyridine-2-carbonitrile;5-[6-[10-[6-(5-isocyano-3-pyridinyl)-2-pyridinyl]-2-phenylanthracen-9-yl]-2-pyridinyl]pyridine-3-carbonitrile
CID 160906758
2-[5-(12,12-diphenyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-2-pyridinyl]pyridine-4-carbonitrile;4-[6-(12,12-diphenyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-2-pyridinyl]pyridine-2-carbonitrile;5-[6-(12,12-diphenyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-2-pyridinyl]pyridine-3-carbonitrile
CID 158263624
2-[4-[4-[4-(4-isocyano-2-pyridinyl)phenyl]-2,3-diphenylnaphthalen-1-yl]phenyl]pyridine-4-carbonitrile;5-[4-[4-[4-(5-isocyano-3-pyridinyl)phenyl]-2,3-diphenylnaphthalen-1-yl]phenyl]pyridine-3-carbonitrile;2-[5-[4-[6-(4-isocyano-2-pyridinyl)-3-pyridinyl]naphthalen-1-yl]-2-pyridinyl]pyridine-4-carbonitrile;4-[6-[4-[6-(2-isocyano-4-pyridinyl)-2-pyridinyl]naphthalen-1-yl]-2-pyridinyl]pyridine-2-carbonitrile;5-[6-[4-[6-(5-isocyano-3-pyridinyl)-2-pyridinyl]naphthalen-1-yl]-2-pyridinyl]pyridine-3-carbonitrile
CID 158003687
2-[3-(6,9-diphenylcarbazol-3-yl)phenyl]pyridine-4-carbonitrile;4-[3-(6,9-diphenylcarbazol-3-yl)phenyl]pyridine-2-carbonitrile;5-[3-(6,9-diphenylcarbazol-3-yl)phenyl]pyridine-3-carbonitrile
CID 162039390
5-[4-(8-phenyldibenzothiophen-2-yl)phenyl]pyridine-3-carbonitrile
CID 118397183
4-(6-naphtho[2,1-b][1]benzofuran-9-yl-2-pyridinyl)pyridine-2-carbonitrile;2-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-4-carbonitrile;4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-2-carbonitrile;5-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-3-carbonitrile
CID 158486863
4-[6-[7-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]dibenzothiophen-3-yl]-2-pyridinyl]pyridine-2-carbonitrile
CID 118397775
5-dibenzothiophen-2-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine
CID 153187941

Frequently Asked Questions

What is the IUPAC name of 2-(5-dibenzothiophen-2-yl-2-pyridinyl)pyridine-4-carbonitrile;4-(6-dibenzothiophen-2-yl-2-pyridinyl)pyridine-2-carbonitrile;5-(6-dibenzothiophen-2-yl-2-pyridinyl)pyridine-3-carbonitrile;2-(8-phenyldibenzothiophen-2-yl)pyridine-4-carbonitrile?
The IUPAC name of 2-(5-dibenzothiophen-2-yl-2-pyridinyl)pyridine-4-carbonitrile;4-(6-dibenzothiophen-2-yl-2-pyridinyl)pyridine-2-carbonitrile;5-(6-dibenzothiophen-2-yl-2-pyridinyl)pyridine-3-carbonitrile;2-(8-phenyldibenzothiophen-2-yl)pyridine-4-carbonitrile (CID 162201404) is 2-(5-dibenzothiophen-2-yl-2-pyridinyl)pyridine-4-carbonitrile;4-(6-dibenzothiophen-2-yl-2-pyridinyl)pyridine-2-carbonitrile;5-(6-dibenzothiophen-2-yl-2-pyridinyl)pyridine-3-carbonitrile;2-(8-phenyldibenzothiophen-2-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(5-dibenzothiophen-2-yl-2-pyridinyl)pyridine-4-carbonitrile;4-(6-dibenzothiophen-2-yl-2-pyridinyl)pyridine-2-carbonitrile;5-(6-dibenzothiophen-2-yl-2-pyridinyl)pyridine-3-carbonitrile;2-(8-phenyldibenzothiophen-2-yl)pyridine-4-carbonitrile?
The canonical SMILES for 2-(5-dibenzothiophen-2-yl-2-pyridinyl)pyridine-4-carbonitrile;4-(6-dibenzothiophen-2-yl-2-pyridinyl)pyridine-2-carbonitrile;5-(6-dibenzothiophen-2-yl-2-pyridinyl)pyridine-3-carbonitrile;2-(8-phenyldibenzothiophen-2-yl)pyridine-4-carbonitrile is N#Cc1cc(-c2cccc(-c3ccc4sc5ccccc5c4c3)n2)ccn1.N#Cc1ccnc(-c2ccc(-c3ccc4sc5ccccc5c4c3)cn2)c1.N#Cc1ccnc(-c2ccc3sc4ccc(-c5ccccc5)cc4c3c2)c1.N#Cc1cncc(-c2cccc(-c3ccc4sc5ccccc5c4c3)n2)c1.
What is the InChIKey of 2-(5-dibenzothiophen-2-yl-2-pyridinyl)pyridine-4-carbonitrile;4-(6-dibenzothiophen-2-yl-2-pyridinyl)pyridine-2-carbonitrile;5-(6-dibenzothiophen-2-yl-2-pyridinyl)pyridine-3-carbonitrile;2-(8-phenyldibenzothiophen-2-yl)pyridine-4-carbonitrile?
The InChIKey is ZRQBOYLVGWWRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N2S.3C23H13N3S/c25-15-16-10-11-26-22(12-16)19-7-9-24-21(14-19)20-13-18(6-8-23(20)27-24)17-4-2-1-3-5-17;24-12-15-10-17(14-25-13-15)21-6-3-5-20(26-21)16-8-9-23-19(11-16)18-4-1-2-7-22(18)27-23;24-14-17-12-16(10-11-25-17)21-6-3-5-20(26-21)15-8-9-23-19(13-15)18-4-1-2-7-22(18)27-23;24-13-15-9-10-25-21(11-15)20-7-5-17(14-26-20)16-6-8-23-19(12-16)18-3-1-2-4-22(18)27-23/h1-14H;1-11,13-14H;1-13H;1-12,14H.
What are the key properties of 2-(5-dibenzothiophen-2-yl-2-pyridinyl)pyridine-4-carbonitrile;4-(6-dibenzothiophen-2-yl-2-pyridinyl)pyridine-2-carbonitrile;5-(6-dibenzothiophen-2-yl-2-pyridinyl)pyridine-3-carbonitrile;2-(8-phenyldibenzothiophen-2-yl)pyridine-4-carbonitrile?
2-(5-dibenzothiophen-2-yl-2-pyridinyl)pyridine-4-carbonitrile;4-(6-dibenzothiophen-2-yl-2-pyridinyl)pyridine-2-carbonitrile;5-(6-dibenzothiophen-2-yl-2-pyridinyl)pyridine-3-carbonitrile;2-(8-phenyldibenzothiophen-2-yl)pyridine-4-carbonitrile has a molecular weight of 1452.79 g/mol, XLogP of 24.81, 8 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-dibenzothiophen-2-yl-2-pyridinyl)pyridine-4-carbonitrile;4-(6-dibenzothiophen-2-yl-2-pyridinyl)pyridine-2-carbonitrile;5-(6-dibenzothiophen-2-yl-2-pyridinyl)pyridine-3-carbonitrile;2-(8-phenyldibenzothiophen-2-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 162201404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).