6-[7-(1,3-benzothiazol-6-yl)triphenylen-2-yl]-1,3-benzothiazole;2-[7-(1,3-benzoxazol-2-yl)triphenylen-2-yl]-1,3-benzoxazole;5-[7-(1,3-benzoxazol-6-yl)triphenylen-2-yl]-1,3-benzoxazole;1-methyl-7-[7-(3-methylbenzimidazol-4-yl)triphenylen-1-yl]benzimidazole;1-methyl-7-[7-(3-methylbenzimidazol-4-yl)triphenylen-2-yl]benzimidazole;8-phenyl-6-triphenylen-2-ylisoquinoline;4-phenyl-2-triphenylen-2-ylpyridine;4-phenyl-2-triphenylen-2-ylpyrimidine;5-phenyl-8-triphenylen-2-ylquinoline;2-phenyl-4-triphenylen-2-yl-1,3,5-triazine

C314H198N22O4S2 — CID 159128804

IUPAC6-[7-(1,3-benzothiazol-6-yl)triphenylen-2-yl]-1,3-benzothiazole;2-[7-(1,3-benzoxazol-2-yl)triphenylen-2-yl]-1,3-benzoxazole;5-[7-(1,3-benzoxazol-6-yl)triphenylen-2-yl]-1,3-benzoxazole;1-methyl-7-[7-(3-methylbenzimidazol-4-yl)triphenylen-1-yl]benzimidazole;1-methyl-7-[7-(3-methylbenzimidazol-4-yl)triphenylen-2-yl]benzimidazole;8-phenyl-6-triphenylen-2-ylisoquinoline;4-phenyl-2-triphenylen-2-ylpyridine;4-phenyl-2-triphenylen-2-ylpyrimidine;5-phenyl-8-triphenylen-2-ylquinoline;2-phenyl-4-triphenylen-2-yl-1,3,5-triazine
SMILESCn1cnc2cccc(-c3ccc4c(c3)c3ccccc3c3c(-c5cccc6ncn(C)c56)cccc43)c21.Cn1cnc2cccc(-c3ccc4c5ccc(-c6cccc7ncn(C)c67)cc5c5ccccc5c4c3)c21.c1ccc(-c2cc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc3ccncc23)cc1.c1ccc(-c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c3ncccc23)cc1.c1ccc(-c2ccnc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)cc1.c1ccc(-c2ccnc(-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1.c1ccc(-c2ncnc(-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1.c1ccc2c(c1)c1cc(-c3ccc4ncsc4c3)ccc1c1ccc(-c3ccc4ncsc4c3)cc21.c1ccc2c(c1)c1cc(-c3ccc4ocnc4c3)ccc1c1ccc(-c3ccc4ncoc4c3)cc21.c1ccc2oc(-c3ccc4c5ccc(-c6nc7ccccc7o6)cc5c5ccccc5c4c3)nc2c1
InChIInChI=1S/2C34H24N4.2C33H21N.2C32H18N2O2.C32H18N2S2.C29H19N.C28H18N2.C27H17N3/c1-37-19-35-30-14-6-10-22(33(30)37)21-16-17-24-26-11-5-12-27(28-13-7-15-31-34(28)38(2)20-36-31)32(26)25-9-4-3-8-23(25)29(24)18-21;1-37-19-35-31-11-5-9-23(33(31)37)21-13-15-27-28-16-14-22(24-10-6-12-32-34(24)38(2)20-36-32)18-30(28)26-8-4-3-7-25(26)29(27)17-21;1-2-9-22(10-3-1)24-18-19-25(33-31(24)15-8-20-34-33)23-16-17-30-28-13-5-4-11-26(28)27-12-6-7-14-29(27)32(30)21-23;1-2-8-22(9-3-1)31-20-25(18-24-16-17-34-21-33(24)31)23-14-15-30-28-12-5-4-10-26(28)27-11-6-7-13-29(27)32(30)19-23;1-2-8-22-21(7-1)25-17-19(31-33-27-9-3-5-11-29(27)35-31)13-15-23(25)24-16-14-20(18-26(22)24)32-34-28-10-4-6-12-30(28)36-32;1-2-4-24-23(3-1)27-13-19(21-8-12-31-30(15-21)34-18-35-31)5-9-25(27)26-10-6-20(14-28(24)26)22-7-11-29-32(16-22)36-17-33-29;1-2-4-24-23(3-1)27-13-19(21-7-11-29-31(15-21)35-17-33-29)5-9-25(27)26-10-6-20(14-28(24)26)22-8-12-30-32(16-22)36-18-34-30;1-2-8-20(9-3-1)21-16-17-30-29(19-21)22-14-15-27-25-12-5-4-10-23(25)24-11-6-7-13-26(24)28(27)18-22;1-2-8-19(9-3-1)27-16-17-29-28(30-27)20-14-15-25-23-12-5-4-10-21(23)22-11-6-7-13-24(22)26(25)18-20;1-2-8-18(9-3-1)26-28-17-29-27(30-26)19-14-15-24-22-12-5-4-10-20(22)21-11-6-7-13-23(21)25(24)16-19/h2*3-20H,1-2H3;2*1-21H;3*1-18H;1-19H;1-18H;1-17H
InChIKeyKGPRVXVRJAQINI-UHFFFAOYSA-N
MW4407.32 g/mol
LogP83.60
Rot. Bonds20

About 6-[7-(1,3-benzothiazol-6-yl)triphenylen-2-yl]-1,3-benzothiazole;2-[7-(1,3-benzoxazol-2-yl)triphenylen-2-yl]-1,3-benzoxazole;5-[7-(1,3-benzoxazol-6-yl)triphenylen-2-yl]-1,3-benzoxazole;1-methyl-7-[7-(3-methylbenzimidazol-4-yl)triphenylen-1-yl]benzimidazole;1-methyl-7-[7-(3-methylbenzimidazol-4-yl)triphenylen-2-yl]benzimidazole;8-phenyl-6-triphenylen-2-ylisoquinoline;4-phenyl-2-triphenylen-2-ylpyridine;4-phenyl-2-triphenylen-2-ylpyrimidine;5-phenyl-8-triphenylen-2-ylquinoline;2-phenyl-4-triphenylen-2-yl-1,3,5-triazine

6-[7-(1,3-benzothiazol-6-yl)triphenylen-2-yl]-1,3-benzothiazole;2-[7-(1,3-benzoxazol-2-yl)triphenylen-2-yl]-1,3-benzoxazole;5-[7-(1,3-benzoxazol-6-yl)triphenylen-2-yl]-1,3-benzoxazole;1-methyl-7-[7-(3-methylbenzimidazol-4-yl)triphenylen-1-yl]benzimidazole;1-methyl-7-[7-(3-methylbenzimidazol-4-yl)triphenylen-2-yl]benzimidazole;8-phenyl-6-triphenylen-2-ylisoquinoline;4-phenyl-2-triphenylen-2-ylpyridine;4-phenyl-2-triphenylen-2-ylpyrimidine;5-phenyl-8-triphenylen-2-ylquinoline;2-phenyl-4-triphenylen-2-yl-1,3,5-triazine (PubChem CID 159128804) has the molecular formula C314H198N22O4S2 and a molecular weight of 4407.32 g/mol. Its IUPAC name is 6-[7-(1,3-benzothiazol-6-yl)triphenylen-2-yl]-1,3-benzothiazole;2-[7-(1,3-benzoxazol-2-yl)triphenylen-2-yl]-1,3-benzoxazole;5-[7-(1,3-benzoxazol-6-yl)triphenylen-2-yl]-1,3-benzoxazole;1-methyl-7-[7-(3-methylbenzimidazol-4-yl)triphenylen-1-yl]benzimidazole;1-methyl-7-[7-(3-methylbenzimidazol-4-yl)triphenylen-2-yl]benzimidazole;8-phenyl-6-triphenylen-2-ylisoquinoline;4-phenyl-2-triphenylen-2-ylpyridine;4-phenyl-2-triphenylen-2-ylpyrimidine;5-phenyl-8-triphenylen-2-ylquinoline;2-phenyl-4-triphenylen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name6-[7-(1,3-benzothiazol-6-yl)triphenylen-2-yl]-1,3-benzothiazole;2-[7-(1,3-benzoxazol-2-yl)triphenylen-2-yl]-1,3-benzoxazole;5-[7-(1,3-benzoxazol-6-yl)triphenylen-2-yl]-1,3-benzoxazole;1-methyl-7-[7-(3-methylbenzimidazol-4-yl)triphenylen-1-yl]benzimidazole;1-methyl-7-[7-(3-methylbenzimidazol-4-yl)triphenylen-2-yl]benzimidazole;8-phenyl-6-triphenylen-2-ylisoquinoline;4-phenyl-2-triphenylen-2-ylpyridine;4-phenyl-2-triphenylen-2-ylpyrimidine;5-phenyl-8-triphenylen-2-ylquinoline;2-phenyl-4-triphenylen-2-yl-1,3,5-triazine
PubChem CID159128804
Molecular FormulaC314H198N22O4S2
Molecular Weight4407.32 g/mol
Exact Mass4403.54
IUPAC Name6-[7-(1,3-benzothiazol-6-yl)triphenylen-2-yl]-1,3-benzothiazole;2-[7-(1,3-benzoxazol-2-yl)triphenylen-2-yl]-1,3-benzoxazole;5-[7-(1,3-benzoxazol-6-yl)triphenylen-2-yl]-1,3-benzoxazole;1-methyl-7-[7-(3-methylbenzimidazol-4-yl)triphenylen-1-yl]benzimidazole;1-methyl-7-[7-(3-methylbenzimidazol-4-yl)triphenylen-2-yl]benzimidazole;8-phenyl-6-triphenylen-2-ylisoquinoline;4-phenyl-2-triphenylen-2-ylpyridine;4-phenyl-2-triphenylen-2-ylpyrimidine;5-phenyl-8-triphenylen-2-ylquinoline;2-phenyl-4-triphenylen-2-yl-1,3,5-triazine
SMILESCn1cnc2cccc(-c3ccc4c(c3)c3ccccc3c3c(-c5cccc6ncn(C)c56)cccc43)c21.Cn1cnc2cccc(-c3ccc4c5ccc(-c6cccc7ncn(C)c67)cc5c5ccccc5c4c3)c21.c1ccc(-c2cc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc3ccncc23)cc1.c1ccc(-c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c3ncccc23)cc1.c1ccc(-c2ccnc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)cc1.c1ccc(-c2ccnc(-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1.c1ccc(-c2ncnc(-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1.c1ccc2c(c1)c1cc(-c3ccc4ncsc4c3)ccc1c1ccc(-c3ccc4ncsc4c3)cc21.c1ccc2c(c1)c1cc(-c3ccc4ocnc4c3)ccc1c1ccc(-c3ccc4ncoc4c3)cc21.c1ccc2oc(-c3ccc4c5ccc(-c6nc7ccccc7o6)cc5c5ccccc5c4c3)nc2c1
InChIInChI=1S/2C34H24N4.2C33H21N.2C32H18N2O2.C32H18N2S2.C29H19N.C28H18N2.C27H17N3/c1-37-19-35-30-14-6-10-22(33(30)37)21-16-17-24-26-11-5-12-27(28-13-7-15-31-34(28)38(2)20-36-31)32(26)25-9-4-3-8-23(25)29(24)18-21;1-37-19-35-31-11-5-9-23(33(31)37)21-13-15-27-28-16-14-22(24-10-6-12-32-34(24)38(2)20-36-32)18-30(28)26-8-4-3-7-25(26)29(27)17-21;1-2-9-22(10-3-1)24-18-19-25(33-31(24)15-8-20-34-33)23-16-17-30-28-13-5-4-11-26(28)27-12-6-7-14-29(27)32(30)21-23;1-2-8-22(9-3-1)31-20-25(18-24-16-17-34-21-33(24)31)23-14-15-30-28-12-5-4-10-26(28)27-11-6-7-13-29(27)32(30)19-23;1-2-8-22-21(7-1)25-17-19(31-33-27-9-3-5-11-29(27)35-31)13-15-23(25)24-16-14-20(18-26(22)24)32-34-28-10-4-6-12-30(28)36-32;1-2-4-24-23(3-1)27-13-19(21-8-12-31-30(15-21)34-18-35-31)5-9-25(27)26-10-6-20(14-28(24)26)22-7-11-29-32(16-22)36-17-33-29;1-2-4-24-23(3-1)27-13-19(21-7-11-29-31(15-21)35-17-33-29)5-9-25(27)26-10-6-20(14-28(24)26)22-8-12-30-32(16-22)36-18-34-30;1-2-8-20(9-3-1)21-16-17-30-29(19-21)22-14-15-27-25-12-5-4-10-23(25)24-11-6-7-13-26(24)28(27)18-22;1-2-8-19(9-3-1)27-16-17-29-28(30-27)20-14-15-25-23-12-5-4-10-21(23)22-11-6-7-13-24(22)26(25)18-20;1-2-8-18(9-3-1)26-28-17-29-27(30-26)19-14-15-24-22-12-5-4-10-20(22)21-11-6-7-13-23(21)25(24)16-19/h2*3-20H,1-2H3;2*1-21H;3*1-18H;1-19H;1-18H;1-17H
InChIKeyKGPRVXVRJAQINI-UHFFFAOYSA-N
XLogP83.60
TPSA304.30 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds20
Heavy Atoms342
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004407.32
LogP ≤ 583.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 6-[7-(1,3-benzothiazol-6-yl)triphenylen-2-yl]-1,3-benzothiazole;2-[7-(1,3-benzoxazol-2-yl)triphenylen-2-yl]-1,3-benzoxazole;5-[7-(1,3-benzoxazol-6-yl)triphenylen-2-yl]-1,3-benzoxazole;1-methyl-7-[7-(3-methylbenzimidazol-4-yl)triphenylen-1-yl]benzimidazole;1-methyl-7-[7-(3-methylbenzimidazol-4-yl)triphenylen-2-yl]benzimidazole;8-phenyl-6-triphenylen-2-ylisoquinoline;4-phenyl-2-triphenylen-2-ylpyridine;4-phenyl-2-triphenylen-2-ylpyrimidine;5-phenyl-8-triphenylen-2-ylquinoline;2-phenyl-4-triphenylen-2-yl-1,3,5-triazine with MolForge

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Related Compounds

1-Cyclohexyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;9-phenyl-4-propan-2-ylcarbazole;1-phenyl-2-(4-propan-2-ylphenyl)benzimidazole;4-propan-2-ylbenzonitrile;5-propan-2-yl-1,2-dihydroacenaphthylene;1-propan-2-ylisoquinoline;2-(4-propan-2-ylphenyl)-1,3-benzothiazole;2-(4-propan-2-ylphenyl)-1,3-benzoxazole;9-(4-propan-2-ylphenyl)carbazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene;trimethyl-(4-propan-2-ylphenyl)silane;triphenyl-(4-propan-2-ylphenyl)silane
CID 157063515
1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;1-(2-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 157464689
dialuminum;diberyllium;tetragallium;[2-(1,3-benzothiazol-2-yl)phenyl]-methylsulfonylazanide;bis(N-[2-(benzotriazol-2-yl)phenyl]-2,2,2-trifluoroethanimidate);[2-(1,3-benzoxazol-2-yl)phenyl]-pyrazin-2-ylazanide;2-(1-methylpyrrol-2-yl)phenolate;bis([2-(1-phenylbenzimidazol-2-yl)phenyl]-(trifluoromethyl)azanide);2-pyridin-2-ylnaphthalen-1-olate
CID 157512452
benzene-1,2-dicarbonitrile;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;1,2-bis(trifluoromethyl)benzene;5H-cyclopenta[c]pyridine;3H-indazole;isoindole-1,3-dione;4H-naphthalen-1-one;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2-phenyl-1,3-benzoxazole;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyridazine;quinazoline;1,2,3-tris(trifluoromethyl)benzene
CID 157751392
2-[3-(10b,10c-Dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole;2-[3-(10b,10c-dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole-6-carbonitrile;5-[6-(1-phenylbenzimidazol-2-yl)-2-pyridin-3-ylpyrimidin-4-yl]-1,10-phenanthroline;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,3-benzoxazole
CID 157769145
6-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;6-fluoro-N-[2-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;N-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-1,3-benzothiazol-2-amine;1-methyl-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzimidazole;N-[2-(4-naphthalen-2-ylpiperazin-1-yl)ethyl]-1,3-benzothiazol-2-amine;N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-benzoxazol-2-amine
CID 157832980
2-[3-(10b,10c-Dihydropyren-4-yl)-5-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-benzo[h]quinolin-5-yl-5-[3-[5-(3,5-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]-1,3-benzothiazole;2-[3-[4-[3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]phenyl]-5-quinolin-5-ylphenyl]-1,3-benzoxazole
CID 157966551
2,5-Dimethyl-1,3-benzothiazole;1-methoxy-4-methylbenzene;5-methyl-1,3-benzothiazole;3-methyl-1-benzothiophene;5-methyl-2,1,3-benzoxadiazole;2-methyl-1,3-benzoxazole;3-methyl-5-phenyl-1,2,4-oxadiazole;2-methylpyrazine;2-methylpyrimidine;2-methyl-[1,3]thiazolo[5,4-b]pyridine;2-methyl-4-thiophen-2-ylpyrimidine;2-methyl-5-(trifluoromethyl)pyridine
CID 158298930
bis(5-chloro-2-methyl-1,3-benzoxazole);2,5-dimethyl-1,3-benzoxazole;2,5-dimethyl-3H-indole;1-fluoro-4-methylbenzene;bis(6-fluoro-2-methyl-1,3-benzothiazole);bis(6-fluoro-2-methyl-1,3-benzoxazole);2-methylnaphthalene;2-methyl-5-phenyl-1,3-benzoxazole;bis(2-methyl-5-pyridin-4-yl-2,3-dihydro-1,3-thiazole);2-methylsulfanyl-3H-pyrrolo[2,3-b]pyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-4-(trifluoromethyl)pyrimidine
CID 158417103
benzaldehyde;benzonitrile;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2-(1,1-difluoroethyl)-1,3-bis(trifluoromethyl)benzene;3H-indole;4-methylidenecyclopent-2-en-1-one;4H-naphthalen-1-one;1,6-naphthyridine;phenanthridine;1H-phenanthro[9,10-d]imidazole;1,10-phenanthroline;2-phenyl-1,3-benzoxazole;2-pyridin-2-ylpyridine;quinoline
CID 158538440
CID 158633368
CID 158633368
CID 158717243
CID 158717243

Frequently Asked Questions

What is the IUPAC name of 6-[7-(1,3-benzothiazol-6-yl)triphenylen-2-yl]-1,3-benzothiazole;2-[7-(1,3-benzoxazol-2-yl)triphenylen-2-yl]-1,3-benzoxazole;5-[7-(1,3-benzoxazol-6-yl)triphenylen-2-yl]-1,3-benzoxazole;1-methyl-7-[7-(3-methylbenzimidazol-4-yl)triphenylen-1-yl]benzimidazole;1-methyl-7-[7-(3-methylbenzimidazol-4-yl)triphenylen-2-yl]benzimidazole;8-phenyl-6-triphenylen-2-ylisoquinoline;4-phenyl-2-triphenylen-2-ylpyridine;4-phenyl-2-triphenylen-2-ylpyrimidine;5-phenyl-8-triphenylen-2-ylquinoline;2-phenyl-4-triphenylen-2-yl-1,3,5-triazine?
The IUPAC name of 6-[7-(1,3-benzothiazol-6-yl)triphenylen-2-yl]-1,3-benzothiazole;2-[7-(1,3-benzoxazol-2-yl)triphenylen-2-yl]-1,3-benzoxazole;5-[7-(1,3-benzoxazol-6-yl)triphenylen-2-yl]-1,3-benzoxazole;1-methyl-7-[7-(3-methylbenzimidazol-4-yl)triphenylen-1-yl]benzimidazole;1-methyl-7-[7-(3-methylbenzimidazol-4-yl)triphenylen-2-yl]benzimidazole;8-phenyl-6-triphenylen-2-ylisoquinoline;4-phenyl-2-triphenylen-2-ylpyridine;4-phenyl-2-triphenylen-2-ylpyrimidine;5-phenyl-8-triphenylen-2-ylquinoline;2-phenyl-4-triphenylen-2-yl-1,3,5-triazine (CID 159128804) is 6-[7-(1,3-benzothiazol-6-yl)triphenylen-2-yl]-1,3-benzothiazole;2-[7-(1,3-benzoxazol-2-yl)triphenylen-2-yl]-1,3-benzoxazole;5-[7-(1,3-benzoxazol-6-yl)triphenylen-2-yl]-1,3-benzoxazole;1-methyl-7-[7-(3-methylbenzimidazol-4-yl)triphenylen-1-yl]benzimidazole;1-methyl-7-[7-(3-methylbenzimidazol-4-yl)triphenylen-2-yl]benzimidazole;8-phenyl-6-triphenylen-2-ylisoquinoline;4-phenyl-2-triphenylen-2-ylpyridine;4-phenyl-2-triphenylen-2-ylpyrimidine;5-phenyl-8-triphenylen-2-ylquinoline;2-phenyl-4-triphenylen-2-yl-1,3,5-triazine.
What is the SMILES notation for 6-[7-(1,3-benzothiazol-6-yl)triphenylen-2-yl]-1,3-benzothiazole;2-[7-(1,3-benzoxazol-2-yl)triphenylen-2-yl]-1,3-benzoxazole;5-[7-(1,3-benzoxazol-6-yl)triphenylen-2-yl]-1,3-benzoxazole;1-methyl-7-[7-(3-methylbenzimidazol-4-yl)triphenylen-1-yl]benzimidazole;1-methyl-7-[7-(3-methylbenzimidazol-4-yl)triphenylen-2-yl]benzimidazole;8-phenyl-6-triphenylen-2-ylisoquinoline;4-phenyl-2-triphenylen-2-ylpyridine;4-phenyl-2-triphenylen-2-ylpyrimidine;5-phenyl-8-triphenylen-2-ylquinoline;2-phenyl-4-triphenylen-2-yl-1,3,5-triazine?
The canonical SMILES for 6-[7-(1,3-benzothiazol-6-yl)triphenylen-2-yl]-1,3-benzothiazole;2-[7-(1,3-benzoxazol-2-yl)triphenylen-2-yl]-1,3-benzoxazole;5-[7-(1,3-benzoxazol-6-yl)triphenylen-2-yl]-1,3-benzoxazole;1-methyl-7-[7-(3-methylbenzimidazol-4-yl)triphenylen-1-yl]benzimidazole;1-methyl-7-[7-(3-methylbenzimidazol-4-yl)triphenylen-2-yl]benzimidazole;8-phenyl-6-triphenylen-2-ylisoquinoline;4-phenyl-2-triphenylen-2-ylpyridine;4-phenyl-2-triphenylen-2-ylpyrimidine;5-phenyl-8-triphenylen-2-ylquinoline;2-phenyl-4-triphenylen-2-yl-1,3,5-triazine is Cn1cnc2cccc(-c3ccc4c(c3)c3ccccc3c3c(-c5cccc6ncn(C)c56)cccc43)c21.Cn1cnc2cccc(-c3ccc4c5ccc(-c6cccc7ncn(C)c67)cc5c5ccccc5c4c3)c21.c1ccc(-c2cc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc3ccncc23)cc1.c1ccc(-c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c3ncccc23)cc1.c1ccc(-c2ccnc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)cc1.c1ccc(-c2ccnc(-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1.c1ccc(-c2ncnc(-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1.c1ccc2c(c1)c1cc(-c3ccc4ncsc4c3)ccc1c1ccc(-c3ccc4ncsc4c3)cc21.c1ccc2c(c1)c1cc(-c3ccc4ocnc4c3)ccc1c1ccc(-c3ccc4ncoc4c3)cc21.c1ccc2oc(-c3ccc4c5ccc(-c6nc7ccccc7o6)cc5c5ccccc5c4c3)nc2c1.
What is the InChIKey of 6-[7-(1,3-benzothiazol-6-yl)triphenylen-2-yl]-1,3-benzothiazole;2-[7-(1,3-benzoxazol-2-yl)triphenylen-2-yl]-1,3-benzoxazole;5-[7-(1,3-benzoxazol-6-yl)triphenylen-2-yl]-1,3-benzoxazole;1-methyl-7-[7-(3-methylbenzimidazol-4-yl)triphenylen-1-yl]benzimidazole;1-methyl-7-[7-(3-methylbenzimidazol-4-yl)triphenylen-2-yl]benzimidazole;8-phenyl-6-triphenylen-2-ylisoquinoline;4-phenyl-2-triphenylen-2-ylpyridine;4-phenyl-2-triphenylen-2-ylpyrimidine;5-phenyl-8-triphenylen-2-ylquinoline;2-phenyl-4-triphenylen-2-yl-1,3,5-triazine?
The InChIKey is KGPRVXVRJAQINI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C34H24N4.2C33H21N.2C32H18N2O2.C32H18N2S2.C29H19N.C28H18N2.C27H17N3/c1-37-19-35-30-14-6-10-22(33(30)37)21-16-17-24-26-11-5-12-27(28-13-7-15-31-34(28)38(2)20-36-31)32(26)25-9-4-3-8-23(25)29(24)18-21;1-37-19-35-31-11-5-9-23(33(31)37)21-13-15-27-28-16-14-22(24-10-6-12-32-34(24)38(2)20-36-32)18-30(28)26-8-4-3-7-25(26)29(27)17-21;1-2-9-22(10-3-1)24-18-19-25(33-31(24)15-8-20-34-33)23-16-17-30-28-13-5-4-11-26(28)27-12-6-7-14-29(27)32(30)21-23;1-2-8-22(9-3-1)31-20-25(18-24-16-17-34-21-33(24)31)23-14-15-30-28-12-5-4-10-26(28)27-11-6-7-13-29(27)32(30)19-23;1-2-8-22-21(7-1)25-17-19(31-33-27-9-3-5-11-29(27)35-31)13-15-23(25)24-16-14-20(18-26(22)24)32-34-28-10-4-6-12-30(28)36-32;1-2-4-24-23(3-1)27-13-19(21-8-12-31-30(15-21)34-18-35-31)5-9-25(27)26-10-6-20(14-28(24)26)22-7-11-29-32(16-22)36-17-33-29;1-2-4-24-23(3-1)27-13-19(21-7-11-29-31(15-21)35-17-33-29)5-9-25(27)26-10-6-20(14-28(24)26)22-8-12-30-32(16-22)36-18-34-30;1-2-8-20(9-3-1)21-16-17-30-29(19-21)22-14-15-27-25-12-5-4-10-23(25)24-11-6-7-13-26(24)28(27)18-22;1-2-8-19(9-3-1)27-16-17-29-28(30-27)20-14-15-25-23-12-5-4-10-21(23)22-11-6-7-13-24(22)26(25)18-20;1-2-8-18(9-3-1)26-28-17-29-27(30-26)19-14-15-24-22-12-5-4-10-20(22)21-11-6-7-13-23(21)25(24)16-19/h2*3-20H,1-2H3;2*1-21H;3*1-18H;1-19H;1-18H;1-17H.
What are the key properties of 6-[7-(1,3-benzothiazol-6-yl)triphenylen-2-yl]-1,3-benzothiazole;2-[7-(1,3-benzoxazol-2-yl)triphenylen-2-yl]-1,3-benzoxazole;5-[7-(1,3-benzoxazol-6-yl)triphenylen-2-yl]-1,3-benzoxazole;1-methyl-7-[7-(3-methylbenzimidazol-4-yl)triphenylen-1-yl]benzimidazole;1-methyl-7-[7-(3-methylbenzimidazol-4-yl)triphenylen-2-yl]benzimidazole;8-phenyl-6-triphenylen-2-ylisoquinoline;4-phenyl-2-triphenylen-2-ylpyridine;4-phenyl-2-triphenylen-2-ylpyrimidine;5-phenyl-8-triphenylen-2-ylquinoline;2-phenyl-4-triphenylen-2-yl-1,3,5-triazine?
6-[7-(1,3-benzothiazol-6-yl)triphenylen-2-yl]-1,3-benzothiazole;2-[7-(1,3-benzoxazol-2-yl)triphenylen-2-yl]-1,3-benzoxazole;5-[7-(1,3-benzoxazol-6-yl)triphenylen-2-yl]-1,3-benzoxazole;1-methyl-7-[7-(3-methylbenzimidazol-4-yl)triphenylen-1-yl]benzimidazole;1-methyl-7-[7-(3-methylbenzimidazol-4-yl)triphenylen-2-yl]benzimidazole;8-phenyl-6-triphenylen-2-ylisoquinoline;4-phenyl-2-triphenylen-2-ylpyridine;4-phenyl-2-triphenylen-2-ylpyrimidine;5-phenyl-8-triphenylen-2-ylquinoline;2-phenyl-4-triphenylen-2-yl-1,3,5-triazine has a molecular weight of 4407.32 g/mol, XLogP of 83.60, 20 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-(1,3-benzothiazol-6-yl)triphenylen-2-yl]-1,3-benzothiazole;2-[7-(1,3-benzoxazol-2-yl)triphenylen-2-yl]-1,3-benzoxazole;5-[7-(1,3-benzoxazol-6-yl)triphenylen-2-yl]-1,3-benzoxazole;1-methyl-7-[7-(3-methylbenzimidazol-4-yl)triphenylen-1-yl]benzimidazole;1-methyl-7-[7-(3-methylbenzimidazol-4-yl)triphenylen-2-yl]benzimidazole;8-phenyl-6-triphenylen-2-ylisoquinoline;4-phenyl-2-triphenylen-2-ylpyridine;4-phenyl-2-triphenylen-2-ylpyrimidine;5-phenyl-8-triphenylen-2-ylquinoline;2-phenyl-4-triphenylen-2-yl-1,3,5-triazine is sourced from PubChem (CID 159128804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).