5-(3,5-dipyridin-3-ylphenyl)-2-(4-naphthalen-1-ylphenyl)-1,3-benzothiazole;6-(3,5-dipyridin-3-ylphenyl)-2-(4-naphthalen-1-ylphenyl)-1,3-benzothiazole;2-[3-methyl-4-(3-pyridin-2-ylphenyl)phenyl]-6-(4-naphthalen-1-ylphenyl)-1,3-benzothiazole

C119H78N8S3 — CID 159031954

IUPAC5-(3,5-dipyridin-3-ylphenyl)-2-(4-naphthalen-1-ylphenyl)-1,3-benzothiazole;6-(3,5-dipyridin-3-ylphenyl)-2-(4-naphthalen-1-ylphenyl)-1,3-benzothiazole;2-[3-methyl-4-(3-pyridin-2-ylphenyl)phenyl]-6-(4-naphthalen-1-ylphenyl)-1,3-benzothiazole
SMILESCc1cc(-c2nc3ccc(-c4ccc(-c5cccc6ccccc56)cc4)cc3s2)ccc1-c1cccc(-c2ccccn2)c1.c1cncc(-c2cc(-c3cccnc3)cc(-c3ccc4nc(-c5ccc(-c6cccc7ccccc67)cc5)sc4c3)c2)c1.c1cncc(-c2cc(-c3cccnc3)cc(-c3ccc4sc(-c5ccc(-c6cccc7ccccc67)cc5)nc4c3)c2)c1
InChIInChI=1S/C41H28N2S.2C39H25N3S/c1-27-24-34(19-21-35(27)32-10-6-11-33(25-32)38-14-4-5-23-42-38)41-43-39-22-20-31(26-40(39)44-41)28-15-17-30(18-16-28)37-13-7-9-29-8-2-3-12-36(29)37;1-2-10-35-26(6-1)7-3-11-36(35)27-12-14-28(15-13-27)39-42-37-23-29(16-17-38(37)43-39)32-20-33(30-8-4-18-40-24-30)22-34(21-32)31-9-5-19-41-25-31;1-2-10-35-26(6-1)7-3-11-36(35)27-12-14-28(15-13-27)39-42-37-17-16-29(23-38(37)43-39)32-20-33(30-8-4-18-40-24-30)22-34(21-32)31-9-5-19-41-25-31/h2-26H,1H3;2*1-25H
InChIKeyJUZMZMGSBDKMBF-UHFFFAOYSA-N
MW1716.19 g/mol
LogP32.64
Rot. Bonds15

About 5-(3,5-dipyridin-3-ylphenyl)-2-(4-naphthalen-1-ylphenyl)-1,3-benzothiazole;6-(3,5-dipyridin-3-ylphenyl)-2-(4-naphthalen-1-ylphenyl)-1,3-benzothiazole;2-[3-methyl-4-(3-pyridin-2-ylphenyl)phenyl]-6-(4-naphthalen-1-ylphenyl)-1,3-benzothiazole

5-(3,5-dipyridin-3-ylphenyl)-2-(4-naphthalen-1-ylphenyl)-1,3-benzothiazole;6-(3,5-dipyridin-3-ylphenyl)-2-(4-naphthalen-1-ylphenyl)-1,3-benzothiazole;2-[3-methyl-4-(3-pyridin-2-ylphenyl)phenyl]-6-(4-naphthalen-1-ylphenyl)-1,3-benzothiazole (PubChem CID 159031954) has the molecular formula C119H78N8S3 and a molecular weight of 1716.19 g/mol. Its IUPAC name is 5-(3,5-dipyridin-3-ylphenyl)-2-(4-naphthalen-1-ylphenyl)-1,3-benzothiazole;6-(3,5-dipyridin-3-ylphenyl)-2-(4-naphthalen-1-ylphenyl)-1,3-benzothiazole;2-[3-methyl-4-(3-pyridin-2-ylphenyl)phenyl]-6-(4-naphthalen-1-ylphenyl)-1,3-benzothiazole.

Molecular Properties

Compound Name5-(3,5-dipyridin-3-ylphenyl)-2-(4-naphthalen-1-ylphenyl)-1,3-benzothiazole;6-(3,5-dipyridin-3-ylphenyl)-2-(4-naphthalen-1-ylphenyl)-1,3-benzothiazole;2-[3-methyl-4-(3-pyridin-2-ylphenyl)phenyl]-6-(4-naphthalen-1-ylphenyl)-1,3-benzothiazole
PubChem CID159031954
Molecular FormulaC119H78N8S3
Molecular Weight1716.19 g/mol
Exact Mass1714.55
IUPAC Name5-(3,5-dipyridin-3-ylphenyl)-2-(4-naphthalen-1-ylphenyl)-1,3-benzothiazole;6-(3,5-dipyridin-3-ylphenyl)-2-(4-naphthalen-1-ylphenyl)-1,3-benzothiazole;2-[3-methyl-4-(3-pyridin-2-ylphenyl)phenyl]-6-(4-naphthalen-1-ylphenyl)-1,3-benzothiazole
SMILESCc1cc(-c2nc3ccc(-c4ccc(-c5cccc6ccccc56)cc4)cc3s2)ccc1-c1cccc(-c2ccccn2)c1.c1cncc(-c2cc(-c3cccnc3)cc(-c3ccc4nc(-c5ccc(-c6cccc7ccccc67)cc5)sc4c3)c2)c1.c1cncc(-c2cc(-c3cccnc3)cc(-c3ccc4sc(-c5ccc(-c6cccc7ccccc67)cc5)nc4c3)c2)c1
InChIInChI=1S/C41H28N2S.2C39H25N3S/c1-27-24-34(19-21-35(27)32-10-6-11-33(25-32)38-14-4-5-23-42-38)41-43-39-22-20-31(26-40(39)44-41)28-15-17-30(18-16-28)37-13-7-9-29-8-2-3-12-36(29)37;1-2-10-35-26(6-1)7-3-11-36(35)27-12-14-28(15-13-27)39-42-37-23-29(16-17-38(37)43-39)32-20-33(30-8-4-18-40-24-30)22-34(21-32)31-9-5-19-41-25-31;1-2-10-35-26(6-1)7-3-11-36(35)27-12-14-28(15-13-27)39-42-37-17-16-29(23-38(37)43-39)32-20-33(30-8-4-18-40-24-30)22-34(21-32)31-9-5-19-41-25-31/h2-26H,1H3;2*1-25H
InChIKeyJUZMZMGSBDKMBF-UHFFFAOYSA-N
XLogP32.64
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001716.19
LogP ≤ 532.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 5-(3,5-dipyridin-3-ylphenyl)-2-(4-naphthalen-1-ylphenyl)-1,3-benzothiazole;6-(3,5-dipyridin-3-ylphenyl)-2-(4-naphthalen-1-ylphenyl)-1,3-benzothiazole;2-[3-methyl-4-(3-pyridin-2-ylphenyl)phenyl]-6-(4-naphthalen-1-ylphenyl)-1,3-benzothiazole with MolForge

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Related Compounds

32-[4-[2-(4-Fluorophenyl)-[1]benzothiolo[2,3-b]pyrazin-8-yl]phenyl]-3-thia-32-azaoctacyclo[19.11.0.02,14.04,13.05,10.015,20.022,31.025,30]dotriaconta-1(21),2(14),4(13),5,7,9,11,15,17,19,22(31),23,25,27,29-pentadecaene
CID 132081004
2-[4,6-Difluoro-2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-3-methyl-1,3-benzothiazol-3-ium;3-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)-5-(trifluoromethyl)phenyl]-1,3-benzothiazol-3-ium;3-methyl-2-[2,4,6-trimethyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-1,3-benzothiazol-3-ium
CID 157617596
2-[2-Fluoro-4-(trifluoromethyl)phenyl]pyridine;2-phenyl-1,3-benzothiazole;1-phenylisoquinoline;3-phenylisoquinoline;2-phenylpyridine;2-thiophen-2-ylpyridine
CID 157935627
2-[5-(2,6-dimethylphenyl)-9,9-dimethyl-2H-fluoren-2-id-3-yl]pyridine;5-(2,6-dimethylphenyl)-9-ethyl-3-pyridin-2-yl-2H-carbazol-2-ide;tris(2-[3-[2-(2,6-dimethylphenyl)phenyl]benzene-6-id-1-yl]pyridine);2-[3-[2-(2,6-dimethylphenyl)-4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-(2,6-dimethylphenyl)-4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)phenyl]benzene-6-id-1-yl]pyridine;heptakis(iridium);2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine
CID 158665055
2-[3-(5-Tert-butyl-1-methylpyridin-1-ium-2-yl)-4,6-difluoro-2-methylphenyl]-3-methyl-1,3-thiazol-3-ium;2-[3-(5-tert-butyl-1-methylpyridin-1-ium-2-yl)-2-methyl-5-(trifluoromethyl)phenyl]-3-methyl-1,3-thiazol-3-ium;2-[3-(5-tert-butyl-1-methylpyridin-1-ium-2-yl)-2,4,6-trimethylphenyl]-3-methyl-1,3-thiazol-3-ium;3-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-1,3-benzothiazol-3-ium
CID 159496861
2-[4,6-Difluoro-2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-3-methyl-1,3-benzothiazol-3-ium;3-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-1,3-benzothiazol-3-ium;3-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)-5-(trifluoromethyl)phenyl]-1,3-benzothiazol-3-ium;3-methyl-2-[2,4,6-trimethyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-1,3-benzothiazol-3-ium
CID 160178868
2-[2-(4-Tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyridin-1-ium-4-yl]-1,3-benzothiazole;2-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyridin-1-ium-4-yl]-4-methyl-1,3-thiazole;5-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyridin-1-ium-4-yl]-2-methyl-1,3-thiazole;2-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyridin-1-ium-4-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;5-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyridin-1-ium-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole
CID 160275332
7,17-Bis[2-(2,3,5,6-tetrafluoro-4-pyridinyl)-1,3-thiazol-5-yl]-6,16-dithia-8,18-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3,5(9),7,10,12,14,17,19-nonaene
CID 169314183
2,3,5,6-Tetrafluoro-4-[5-[17-[2-(2,3,5,6-tetrafluoro-4-isocyanophenyl)-1,3-thiazol-5-yl]-6,16-dithia-8,18-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaen-7-yl]-1,3-thiazol-2-yl]benzonitrile
CID 169314190
2,7-Bis[2-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-1,3-thiazol-5-yl]-[1,3]benzothiazolo[6,5-f][1,3]benzothiazole
CID 169314193
2,7-Bis(4-fluoro-5-quinolin-3-ylthiophen-2-yl)-[1,3]benzothiazolo[6,5-f][1,3]benzothiazole
CID 169314194
2,7-Bis[6-(2,3,4,5,6-pentafluorophenyl)thieno[3,2-c]pyridin-2-yl]-[1,3]benzothiazolo[6,5-f][1,3]benzothiazole
CID 169314292

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dipyridin-3-ylphenyl)-2-(4-naphthalen-1-ylphenyl)-1,3-benzothiazole;6-(3,5-dipyridin-3-ylphenyl)-2-(4-naphthalen-1-ylphenyl)-1,3-benzothiazole;2-[3-methyl-4-(3-pyridin-2-ylphenyl)phenyl]-6-(4-naphthalen-1-ylphenyl)-1,3-benzothiazole?
The IUPAC name of 5-(3,5-dipyridin-3-ylphenyl)-2-(4-naphthalen-1-ylphenyl)-1,3-benzothiazole;6-(3,5-dipyridin-3-ylphenyl)-2-(4-naphthalen-1-ylphenyl)-1,3-benzothiazole;2-[3-methyl-4-(3-pyridin-2-ylphenyl)phenyl]-6-(4-naphthalen-1-ylphenyl)-1,3-benzothiazole (CID 159031954) is 5-(3,5-dipyridin-3-ylphenyl)-2-(4-naphthalen-1-ylphenyl)-1,3-benzothiazole;6-(3,5-dipyridin-3-ylphenyl)-2-(4-naphthalen-1-ylphenyl)-1,3-benzothiazole;2-[3-methyl-4-(3-pyridin-2-ylphenyl)phenyl]-6-(4-naphthalen-1-ylphenyl)-1,3-benzothiazole.
What is the SMILES notation for 5-(3,5-dipyridin-3-ylphenyl)-2-(4-naphthalen-1-ylphenyl)-1,3-benzothiazole;6-(3,5-dipyridin-3-ylphenyl)-2-(4-naphthalen-1-ylphenyl)-1,3-benzothiazole;2-[3-methyl-4-(3-pyridin-2-ylphenyl)phenyl]-6-(4-naphthalen-1-ylphenyl)-1,3-benzothiazole?
The canonical SMILES for 5-(3,5-dipyridin-3-ylphenyl)-2-(4-naphthalen-1-ylphenyl)-1,3-benzothiazole;6-(3,5-dipyridin-3-ylphenyl)-2-(4-naphthalen-1-ylphenyl)-1,3-benzothiazole;2-[3-methyl-4-(3-pyridin-2-ylphenyl)phenyl]-6-(4-naphthalen-1-ylphenyl)-1,3-benzothiazole is Cc1cc(-c2nc3ccc(-c4ccc(-c5cccc6ccccc56)cc4)cc3s2)ccc1-c1cccc(-c2ccccn2)c1.c1cncc(-c2cc(-c3cccnc3)cc(-c3ccc4nc(-c5ccc(-c6cccc7ccccc67)cc5)sc4c3)c2)c1.c1cncc(-c2cc(-c3cccnc3)cc(-c3ccc4sc(-c5ccc(-c6cccc7ccccc67)cc5)nc4c3)c2)c1.
What is the InChIKey of 5-(3,5-dipyridin-3-ylphenyl)-2-(4-naphthalen-1-ylphenyl)-1,3-benzothiazole;6-(3,5-dipyridin-3-ylphenyl)-2-(4-naphthalen-1-ylphenyl)-1,3-benzothiazole;2-[3-methyl-4-(3-pyridin-2-ylphenyl)phenyl]-6-(4-naphthalen-1-ylphenyl)-1,3-benzothiazole?
The InChIKey is JUZMZMGSBDKMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N2S.2C39H25N3S/c1-27-24-34(19-21-35(27)32-10-6-11-33(25-32)38-14-4-5-23-42-38)41-43-39-22-20-31(26-40(39)44-41)28-15-17-30(18-16-28)37-13-7-9-29-8-2-3-12-36(29)37;1-2-10-35-26(6-1)7-3-11-36(35)27-12-14-28(15-13-27)39-42-37-23-29(16-17-38(37)43-39)32-20-33(30-8-4-18-40-24-30)22-34(21-32)31-9-5-19-41-25-31;1-2-10-35-26(6-1)7-3-11-36(35)27-12-14-28(15-13-27)39-42-37-17-16-29(23-38(37)43-39)32-20-33(30-8-4-18-40-24-30)22-34(21-32)31-9-5-19-41-25-31/h2-26H,1H3;2*1-25H.
What are the key properties of 5-(3,5-dipyridin-3-ylphenyl)-2-(4-naphthalen-1-ylphenyl)-1,3-benzothiazole;6-(3,5-dipyridin-3-ylphenyl)-2-(4-naphthalen-1-ylphenyl)-1,3-benzothiazole;2-[3-methyl-4-(3-pyridin-2-ylphenyl)phenyl]-6-(4-naphthalen-1-ylphenyl)-1,3-benzothiazole?
5-(3,5-dipyridin-3-ylphenyl)-2-(4-naphthalen-1-ylphenyl)-1,3-benzothiazole;6-(3,5-dipyridin-3-ylphenyl)-2-(4-naphthalen-1-ylphenyl)-1,3-benzothiazole;2-[3-methyl-4-(3-pyridin-2-ylphenyl)phenyl]-6-(4-naphthalen-1-ylphenyl)-1,3-benzothiazole has a molecular weight of 1716.19 g/mol, XLogP of 32.64, 15 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dipyridin-3-ylphenyl)-2-(4-naphthalen-1-ylphenyl)-1,3-benzothiazole;6-(3,5-dipyridin-3-ylphenyl)-2-(4-naphthalen-1-ylphenyl)-1,3-benzothiazole;2-[3-methyl-4-(3-pyridin-2-ylphenyl)phenyl]-6-(4-naphthalen-1-ylphenyl)-1,3-benzothiazole is sourced from PubChem (CID 159031954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).