6-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzothiazole

C120H80N14S3 — CID 158978039

IUPAC6-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzothiazole
SMILESCc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc3nc(-c4ccccc4)sc3c2)c(C)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5nc(-c6ccccc6)sc5c4)c(-c4ccccc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5nc(-c6ccccc6)sc5c4)c(-c4cccnc4)c3)n2)cc1
InChIInChI=1S/C41H29N5S.C40H26N4S.C39H25N5S/c1-26-18-21-33(27(2)42-26)35-24-32(40-45-38(28-12-6-3-7-13-28)44-39(46-40)29-14-8-4-9-15-29)19-22-34(35)31-20-23-36-37(25-31)47-41(43-36)30-16-10-5-11-17-30;1-5-13-27(14-6-1)34-25-32(39-43-37(28-15-7-2-8-16-28)42-38(44-39)29-17-9-3-10-18-29)21-23-33(34)31-22-24-35-36(26-31)45-40(41-35)30-19-11-4-12-20-30;1-4-11-26(12-5-1)36-42-37(27-13-6-2-7-14-27)44-38(43-36)30-18-20-32(33(23-30)31-17-10-22-40-25-31)29-19-21-34-35(24-29)45-39(41-34)28-15-8-3-9-16-28/h3-25H,1-2H3;1-26H;1-25H
InChIKeyJOQGXDZYFRHMQF-UHFFFAOYSA-N
MW1814.26 g/mol
LogP30.86
Rot. Bonds18

About 6-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzothiazole

6-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzothiazole (PubChem CID 158978039) has the molecular formula C120H80N14S3 and a molecular weight of 1814.26 g/mol. Its IUPAC name is 6-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzothiazole.

Molecular Properties

Compound Name6-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzothiazole
PubChem CID158978039
Molecular FormulaC120H80N14S3
Molecular Weight1814.26 g/mol
Exact Mass1812.59
IUPAC Name6-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzothiazole
SMILESCc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc3nc(-c4ccccc4)sc3c2)c(C)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5nc(-c6ccccc6)sc5c4)c(-c4ccccc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5nc(-c6ccccc6)sc5c4)c(-c4cccnc4)c3)n2)cc1
InChIInChI=1S/C41H29N5S.C40H26N4S.C39H25N5S/c1-26-18-21-33(27(2)42-26)35-24-32(40-45-38(28-12-6-3-7-13-28)44-39(46-40)29-14-8-4-9-15-29)19-22-34(35)31-20-23-36-37(25-31)47-41(43-36)30-16-10-5-11-17-30;1-5-13-27(14-6-1)34-25-32(39-43-37(28-15-7-2-8-16-28)42-38(44-39)29-17-9-3-10-18-29)21-23-33(34)31-22-24-35-36(26-31)45-40(41-35)30-19-11-4-12-20-30;1-4-11-26(12-5-1)36-42-37(27-13-6-2-7-14-27)44-38(43-36)30-18-20-32(33(23-30)31-17-10-22-40-25-31)29-19-21-34-35(24-29)45-39(41-34)28-15-8-3-9-16-28/h3-25H,1-2H3;1-26H;1-25H
InChIKeyJOQGXDZYFRHMQF-UHFFFAOYSA-N
XLogP30.86
TPSA180.46 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001814.26
LogP ≤ 530.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 6-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzothiazole with MolForge

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Related Compounds

2-(6-Methylpyridin-2-yl)-6-[7-[2-(6-methylpyridin-2-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-[1,3]thiazolo[4,5-b]pyridine
CID 59738973
3,7-Bis(2,6-dimethylphenyl)-2,8-dimethyl-11-(trifluoromethyl)-3,7,13-triazoniatricyclo[7.3.1.05,13]trideca-1(12),2,7,9(13),10-pentaene;3,7-bis(2,6-dimethylphenyl)-2,8,11-trimethyl-3,7,13-triazoniatricyclo[7.3.1.05,13]trideca-1(12),2,7,9(13),10-pentaene;10,18-dimethyl-3,25-diaza-10,18,27-triazoniaheptacyclo[14.10.1.03,11.04,9.012,27.017,25.019,24]heptacosa-4,6,8,10,12(27),13,15,17,19,21,23-undecaene;10,18-dithia-3,25,27-triazoniaheptacyclo[14.10.1.03,11.04,9.012,27.017,25.019,24]heptacosa-3(11),4,6,8,12(27),13,15,17(25),19,21,23-undecaene;3,19,21-triazoniapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9(21),10,12,14,16,18-nonaene;2,8,11-trimethyl-3,7-bis(2,4,6-trimethylphenyl)-3,7,13-triazoniatricyclo[7.3.1.05,13]trideca-1(12),2,7,9(13),10-pentaene
CID 159537615
2-[3-Benzo[h]isoquinolin-5-yl-5-[3-[5-[3,5-bis(trifluoromethyl)phenyl]-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]-1,3-benzothiazole;2-(3,5-dipyridin-3-ylphenyl)-1,3-benzothiazole;2-[3-(3,5-dipyridin-3-ylphenyl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole;2-[3-pyridin-3-yl-5-(3-pyridin-3-ylphenyl)phenyl]-1,3-benzothiazole
CID 161244750
1-Cyclohexyl-4-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(2,6-difluoro-4-propan-2-ylphenyl)-4-naphthalen-1-ylpiperidine;2-[1-(2,6-difluoro-4-propan-2-ylphenyl)piperidin-4-yl]pyridine;1-(2,6-difluoro-4-propan-2-ylphenyl)-4-[4-(trifluoromethyl)phenyl]piperazine;1,4-difluoro-2-propan-2-yl-5-(trifluoromethyl)benzene;3-fluoro-4-propan-2-ylpyridine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-yl-1,3-benzothiazole
CID 161819908
1-Ethyl-2,7-dimethylbenzo[g]isoquinolin-2-ium;1-ethyl-2,8-dimethylbenzo[g]isoquinolin-2-ium;4-ethyl-3,6-dimethylquinazolin-3-ium;4-ethyl-3,7-dimethylquinazolin-3-ium;7-ethyl-2,6-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-6-ium;4-ethyl-3,7-dimethylthieno[3,2-d]pyrimidin-3-ium;4-ethyl-3,7-dimethyl-8-(trifluoromethyl)quinazolin-3-ium;4-ethyl-3,7,8-trimethylquinazolin-3-ium;4-ethyl-3,6,7-trimethylthieno[3,2-d]pyrimidin-3-ium
CID 162031399
9,10-bis(1,3-benzothiazol-2-yl)-2-N,2-N,7-N,7-N-tetrapyridin-2-ylanthracene-2,7-diamine
CID 57909583
2-[4-(4-Pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-1,3-benzothiazole
CID 58480118
2-[9,10,12,21,22,23,24-Heptakis([1,3]thiazolo[4,5-b]pyridin-2-yl)-3,15-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8(13),9,11,14(19),15,17,21,23-dodecaen-11-yl]-[1,3]thiazolo[4,5-b]pyridine
CID 58978768
2-[3-[3,5-Bis[3-([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[4,5-b]pyridine
CID 59738975
2-[4-[3,5-Bis[4-(5-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]-5-methyl-[1,3]thiazolo[4,5-b]pyridine
CID 59739002
2-[4-[3-[4-([1,3]Thiazolo[4,5-b]pyrazin-2-yl)phenyl]-5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[4,5-b]pyrazine
CID 59866410
2-[3-([1,3]Thiazolo[5,4-b]pyridin-2-yl)-5-[2,4,5-tris[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[4,5-b]pyrazine
CID 59866418

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzothiazole?
The IUPAC name of 6-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzothiazole (CID 158978039) is 6-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzothiazole.
What is the SMILES notation for 6-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzothiazole?
The canonical SMILES for 6-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzothiazole is Cc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc3nc(-c4ccccc4)sc3c2)c(C)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5nc(-c6ccccc6)sc5c4)c(-c4ccccc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5nc(-c6ccccc6)sc5c4)c(-c4cccnc4)c3)n2)cc1.
What is the InChIKey of 6-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzothiazole?
The InChIKey is JOQGXDZYFRHMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29N5S.C40H26N4S.C39H25N5S/c1-26-18-21-33(27(2)42-26)35-24-32(40-45-38(28-12-6-3-7-13-28)44-39(46-40)29-14-8-4-9-15-29)19-22-34(35)31-20-23-36-37(25-31)47-41(43-36)30-16-10-5-11-17-30;1-5-13-27(14-6-1)34-25-32(39-43-37(28-15-7-2-8-16-28)42-38(44-39)29-17-9-3-10-18-29)21-23-33(34)31-22-24-35-36(26-31)45-40(41-35)30-19-11-4-12-20-30;1-4-11-26(12-5-1)36-42-37(27-13-6-2-7-14-27)44-38(43-36)30-18-20-32(33(23-30)31-17-10-22-40-25-31)29-19-21-34-35(24-29)45-39(41-34)28-15-8-3-9-16-28/h3-25H,1-2H3;1-26H;1-25H.
What are the key properties of 6-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzothiazole?
6-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzothiazole has a molecular weight of 1814.26 g/mol, XLogP of 30.86, 18 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzothiazole is sourced from PubChem (CID 158978039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).