2-[4-[6,9-bis(4-phenyl-1,3,5-triazin-2-yl)phenanthren-2-yl]-1,3,5-triazin-2-yl]-1,10-phenanthroline;1-methyl-2-(3-phenanthren-2-ylphenyl)benzimidazole;1-methyl-6-(3-phenanthren-2-ylphenyl)benzimidazole;6-(3-phenanthren-2-ylphenyl)-1,3-benzothiazole;2-(3-phenanthren-2-ylphenyl)-1,3-benzoxazole;6-(3-phenanthren-2-ylphenyl)-1,3-benzoxazole;6-phenanthren-2-yl-8-phenylisoquinoline;2-phenanthren-2-yl-4-phenylpyridine;2-phenanthren-2-yl-4-phenylpyrimidine;2-phenanthren-2-yl-4-phenyl-1,3,5-triazine

C285H185N25O2S — CID 158001129

IUPAC2-[4-[6,9-bis(4-phenyl-1,3,5-triazin-2-yl)phenanthren-2-yl]-1,3,5-triazin-2-yl]-1,10-phenanthroline;1-methyl-2-(3-phenanthren-2-ylphenyl)benzimidazole;1-methyl-6-(3-phenanthren-2-ylphenyl)benzimidazole;6-(3-phenanthren-2-ylphenyl)-1,3-benzothiazole;2-(3-phenanthren-2-ylphenyl)-1,3-benzoxazole;6-(3-phenanthren-2-ylphenyl)-1,3-benzoxazole;6-phenanthren-2-yl-8-phenylisoquinoline;2-phenanthren-2-yl-4-phenylpyridine;2-phenanthren-2-yl-4-phenylpyrimidine;2-phenanthren-2-yl-4-phenyl-1,3,5-triazine
SMILESCn1c(-c2cccc(-c3ccc4c(ccc5ccccc54)c3)c2)nc2ccccc21.Cn1cnc2ccc(-c3cccc(-c4ccc5c(ccc6ccccc65)c4)c3)cc21.c1cc(-c2ccc3c(ccc4ccccc43)c2)cc(-c2ccc3ncoc3c2)c1.c1cc(-c2ccc3c(ccc4ccccc43)c2)cc(-c2ccc3ncsc3c2)c1.c1cc(-c2ccc3c(ccc4ccccc43)c2)cc(-c2nc3ccccc3o2)c1.c1ccc(-c2cc(-c3ccc4c(ccc5ccccc54)c3)cc3ccncc23)cc1.c1ccc(-c2ccnc(-c3ccc4c(ccc5ccccc54)c3)c2)cc1.c1ccc(-c2ccnc(-c3ccc4c(ccc5ccccc54)c3)n2)cc1.c1ccc(-c2ncnc(-c3ccc4c(-c5ncnc(-c6ccccc6)n5)cc5cc(-c6ncnc(-c7ccc8ccc9cccnc9c8n7)n6)ccc5c4c3)n2)cc1.c1ccc(-c2ncnc(-c3ccc4c(ccc5ccccc54)c3)n2)cc1
InChIInChI=1S/C47H27N11.C29H19N.2C28H20N2.2C27H17NO.C27H17NS.C25H17N.C24H16N2.C23H15N3/c1-3-8-30(9-4-1)42-49-25-51-45(56-42)33-16-19-36-37(23-33)35-18-15-32(22-34(35)24-38(36)46-53-26-50-43(57-46)31-10-5-2-6-11-31)44-52-27-54-47(58-44)39-20-17-29-14-13-28-12-7-21-48-40(28)41(29)55-39;1-2-6-20(7-3-1)28-18-25(17-24-14-15-30-19-29(24)28)22-12-13-27-23(16-22)11-10-21-8-4-5-9-26(21)27;1-30-27-12-5-4-11-26(27)29-28(30)23-9-6-8-20(18-23)21-15-16-25-22(17-21)14-13-19-7-2-3-10-24(19)25;1-30-18-29-27-14-12-23(17-28(27)30)21-7-4-6-20(15-21)22-11-13-26-24(16-22)10-9-19-5-2-3-8-25(19)26;1-2-9-23-18(6-1)12-13-21-16-20(14-15-24(21)23)19-7-5-8-22(17-19)27-28-25-10-3-4-11-26(25)29-27;2*1-2-7-24-18(4-1)8-9-23-15-21(10-12-25(23)24)19-5-3-6-20(14-19)22-11-13-26-27(16-22)29-17-28-26;1-2-6-18(7-3-1)20-14-15-26-25(17-20)22-12-13-24-21(16-22)11-10-19-8-4-5-9-23(19)24;1-2-7-18(8-3-1)23-14-15-25-24(26-23)20-12-13-22-19(16-20)11-10-17-6-4-5-9-21(17)22;1-2-7-17(8-3-1)22-24-15-25-23(26-22)19-12-13-21-18(14-19)11-10-16-6-4-5-9-20(16)21/h1-27H;1-19H;2*2-18H,1H3;3*1-17H;1-17H;1-16H;1-15H
InChIKeyFDTCPLNUGGWPGN-UHFFFAOYSA-N
MW4023.85 g/mol
LogP73.17
Rot. Bonds24

About 2-[4-[6,9-bis(4-phenyl-1,3,5-triazin-2-yl)phenanthren-2-yl]-1,3,5-triazin-2-yl]-1,10-phenanthroline;1-methyl-2-(3-phenanthren-2-ylphenyl)benzimidazole;1-methyl-6-(3-phenanthren-2-ylphenyl)benzimidazole;6-(3-phenanthren-2-ylphenyl)-1,3-benzothiazole;2-(3-phenanthren-2-ylphenyl)-1,3-benzoxazole;6-(3-phenanthren-2-ylphenyl)-1,3-benzoxazole;6-phenanthren-2-yl-8-phenylisoquinoline;2-phenanthren-2-yl-4-phenylpyridine;2-phenanthren-2-yl-4-phenylpyrimidine;2-phenanthren-2-yl-4-phenyl-1,3,5-triazine

2-[4-[6,9-bis(4-phenyl-1,3,5-triazin-2-yl)phenanthren-2-yl]-1,3,5-triazin-2-yl]-1,10-phenanthroline;1-methyl-2-(3-phenanthren-2-ylphenyl)benzimidazole;1-methyl-6-(3-phenanthren-2-ylphenyl)benzimidazole;6-(3-phenanthren-2-ylphenyl)-1,3-benzothiazole;2-(3-phenanthren-2-ylphenyl)-1,3-benzoxazole;6-(3-phenanthren-2-ylphenyl)-1,3-benzoxazole;6-phenanthren-2-yl-8-phenylisoquinoline;2-phenanthren-2-yl-4-phenylpyridine;2-phenanthren-2-yl-4-phenylpyrimidine;2-phenanthren-2-yl-4-phenyl-1,3,5-triazine (PubChem CID 158001129) has the molecular formula C285H185N25O2S and a molecular weight of 4023.85 g/mol. Its IUPAC name is 2-[4-[6,9-bis(4-phenyl-1,3,5-triazin-2-yl)phenanthren-2-yl]-1,3,5-triazin-2-yl]-1,10-phenanthroline;1-methyl-2-(3-phenanthren-2-ylphenyl)benzimidazole;1-methyl-6-(3-phenanthren-2-ylphenyl)benzimidazole;6-(3-phenanthren-2-ylphenyl)-1,3-benzothiazole;2-(3-phenanthren-2-ylphenyl)-1,3-benzoxazole;6-(3-phenanthren-2-ylphenyl)-1,3-benzoxazole;6-phenanthren-2-yl-8-phenylisoquinoline;2-phenanthren-2-yl-4-phenylpyridine;2-phenanthren-2-yl-4-phenylpyrimidine;2-phenanthren-2-yl-4-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[6,9-bis(4-phenyl-1,3,5-triazin-2-yl)phenanthren-2-yl]-1,3,5-triazin-2-yl]-1,10-phenanthroline;1-methyl-2-(3-phenanthren-2-ylphenyl)benzimidazole;1-methyl-6-(3-phenanthren-2-ylphenyl)benzimidazole;6-(3-phenanthren-2-ylphenyl)-1,3-benzothiazole;2-(3-phenanthren-2-ylphenyl)-1,3-benzoxazole;6-(3-phenanthren-2-ylphenyl)-1,3-benzoxazole;6-phenanthren-2-yl-8-phenylisoquinoline;2-phenanthren-2-yl-4-phenylpyridine;2-phenanthren-2-yl-4-phenylpyrimidine;2-phenanthren-2-yl-4-phenyl-1,3,5-triazine
PubChem CID158001129
Molecular FormulaC285H185N25O2S
Molecular Weight4023.85 g/mol
Exact Mass4020.49
IUPAC Name2-[4-[6,9-bis(4-phenyl-1,3,5-triazin-2-yl)phenanthren-2-yl]-1,3,5-triazin-2-yl]-1,10-phenanthroline;1-methyl-2-(3-phenanthren-2-ylphenyl)benzimidazole;1-methyl-6-(3-phenanthren-2-ylphenyl)benzimidazole;6-(3-phenanthren-2-ylphenyl)-1,3-benzothiazole;2-(3-phenanthren-2-ylphenyl)-1,3-benzoxazole;6-(3-phenanthren-2-ylphenyl)-1,3-benzoxazole;6-phenanthren-2-yl-8-phenylisoquinoline;2-phenanthren-2-yl-4-phenylpyridine;2-phenanthren-2-yl-4-phenylpyrimidine;2-phenanthren-2-yl-4-phenyl-1,3,5-triazine
SMILESCn1c(-c2cccc(-c3ccc4c(ccc5ccccc54)c3)c2)nc2ccccc21.Cn1cnc2ccc(-c3cccc(-c4ccc5c(ccc6ccccc65)c4)c3)cc21.c1cc(-c2ccc3c(ccc4ccccc43)c2)cc(-c2ccc3ncoc3c2)c1.c1cc(-c2ccc3c(ccc4ccccc43)c2)cc(-c2ccc3ncsc3c2)c1.c1cc(-c2ccc3c(ccc4ccccc43)c2)cc(-c2nc3ccccc3o2)c1.c1ccc(-c2cc(-c3ccc4c(ccc5ccccc54)c3)cc3ccncc23)cc1.c1ccc(-c2ccnc(-c3ccc4c(ccc5ccccc54)c3)c2)cc1.c1ccc(-c2ccnc(-c3ccc4c(ccc5ccccc54)c3)n2)cc1.c1ccc(-c2ncnc(-c3ccc4c(-c5ncnc(-c6ccccc6)n5)cc5cc(-c6ncnc(-c7ccc8ccc9cccnc9c8n7)n6)ccc5c4c3)n2)cc1.c1ccc(-c2ncnc(-c3ccc4c(ccc5ccccc54)c3)n2)cc1
InChIInChI=1S/C47H27N11.C29H19N.2C28H20N2.2C27H17NO.C27H17NS.C25H17N.C24H16N2.C23H15N3/c1-3-8-30(9-4-1)42-49-25-51-45(56-42)33-16-19-36-37(23-33)35-18-15-32(22-34(35)24-38(36)46-53-26-50-43(57-46)31-10-5-2-6-11-31)44-52-27-54-47(58-44)39-20-17-29-14-13-28-12-7-21-48-40(28)41(29)55-39;1-2-6-20(7-3-1)28-18-25(17-24-14-15-30-19-29(24)28)22-12-13-27-23(16-22)11-10-21-8-4-5-9-26(21)27;1-30-27-12-5-4-11-26(27)29-28(30)23-9-6-8-20(18-23)21-15-16-25-22(17-21)14-13-19-7-2-3-10-24(19)25;1-30-18-29-27-14-12-23(17-28(27)30)21-7-4-6-20(15-21)22-11-13-26-24(16-22)10-9-19-5-2-3-8-25(19)26;1-2-9-23-18(6-1)12-13-21-16-20(14-15-24(21)23)19-7-5-8-22(17-19)27-28-25-10-3-4-11-26(25)29-27;2*1-2-7-24-18(4-1)8-9-23-15-21(10-12-25(23)24)19-5-3-6-20(14-19)22-11-13-26-27(16-22)29-17-28-26;1-2-6-18(7-3-1)20-14-15-26-25(17-20)22-12-13-24-21(16-22)11-10-19-8-4-5-9-23(19)24;1-2-7-18(8-3-1)23-14-15-25-24(26-23)20-12-13-22-19(16-20)11-10-17-6-4-5-9-21(17)22;1-2-7-17(8-3-1)22-24-15-25-23(26-22)19-12-13-21-18(14-19)11-10-16-6-4-5-9-20(16)21/h1-27H;1-19H;2*2-18H,1H3;3*1-17H;1-17H;1-16H;1-15H
InChIKeyFDTCPLNUGGWPGN-UHFFFAOYSA-N
XLogP73.17
TPSA332.61 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds24
Heavy Atoms313
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004023.85
LogP ≤ 573.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 2-[4-[6,9-bis(4-phenyl-1,3,5-triazin-2-yl)phenanthren-2-yl]-1,3,5-triazin-2-yl]-1,10-phenanthroline;1-methyl-2-(3-phenanthren-2-ylphenyl)benzimidazole;1-methyl-6-(3-phenanthren-2-ylphenyl)benzimidazole;6-(3-phenanthren-2-ylphenyl)-1,3-benzothiazole;2-(3-phenanthren-2-ylphenyl)-1,3-benzoxazole;6-(3-phenanthren-2-ylphenyl)-1,3-benzoxazole;6-phenanthren-2-yl-8-phenylisoquinoline;2-phenanthren-2-yl-4-phenylpyridine;2-phenanthren-2-yl-4-phenylpyrimidine;2-phenanthren-2-yl-4-phenyl-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
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
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CID 158633368
CID 158633368
CID 158717243
CID 158717243
1-(1,1-Difluoroethyl)-3-methyl-5-(trifluoromethyl)benzene;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1,3-benzoxazole;3,7-dimethylimidazo[4,5-f]benzimidazole;2,3-dimethyl-1,10-phenanthroline;10-methylacridin-9-one;4-methylbenzene-1,2-dicarbonitrile;4-methyl-[1]benzothiolo[2,3-b]pyridine;9-methylcarbazole;4-methyldibenzothiophene;6-methyl-2-phenyl-1,3-benzoxazole;1-(4-methylphenyl)ethanone;9-methylpyrido[2,3-b]indole;3-methylquinoline;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,2,2-trifluoro-1-(3-methylphenyl)ethanone
CID 158821818

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6,9-bis(4-phenyl-1,3,5-triazin-2-yl)phenanthren-2-yl]-1,3,5-triazin-2-yl]-1,10-phenanthroline;1-methyl-2-(3-phenanthren-2-ylphenyl)benzimidazole;1-methyl-6-(3-phenanthren-2-ylphenyl)benzimidazole;6-(3-phenanthren-2-ylphenyl)-1,3-benzothiazole;2-(3-phenanthren-2-ylphenyl)-1,3-benzoxazole;6-(3-phenanthren-2-ylphenyl)-1,3-benzoxazole;6-phenanthren-2-yl-8-phenylisoquinoline;2-phenanthren-2-yl-4-phenylpyridine;2-phenanthren-2-yl-4-phenylpyrimidine;2-phenanthren-2-yl-4-phenyl-1,3,5-triazine?
The IUPAC name of 2-[4-[6,9-bis(4-phenyl-1,3,5-triazin-2-yl)phenanthren-2-yl]-1,3,5-triazin-2-yl]-1,10-phenanthroline;1-methyl-2-(3-phenanthren-2-ylphenyl)benzimidazole;1-methyl-6-(3-phenanthren-2-ylphenyl)benzimidazole;6-(3-phenanthren-2-ylphenyl)-1,3-benzothiazole;2-(3-phenanthren-2-ylphenyl)-1,3-benzoxazole;6-(3-phenanthren-2-ylphenyl)-1,3-benzoxazole;6-phenanthren-2-yl-8-phenylisoquinoline;2-phenanthren-2-yl-4-phenylpyridine;2-phenanthren-2-yl-4-phenylpyrimidine;2-phenanthren-2-yl-4-phenyl-1,3,5-triazine (CID 158001129) is 2-[4-[6,9-bis(4-phenyl-1,3,5-triazin-2-yl)phenanthren-2-yl]-1,3,5-triazin-2-yl]-1,10-phenanthroline;1-methyl-2-(3-phenanthren-2-ylphenyl)benzimidazole;1-methyl-6-(3-phenanthren-2-ylphenyl)benzimidazole;6-(3-phenanthren-2-ylphenyl)-1,3-benzothiazole;2-(3-phenanthren-2-ylphenyl)-1,3-benzoxazole;6-(3-phenanthren-2-ylphenyl)-1,3-benzoxazole;6-phenanthren-2-yl-8-phenylisoquinoline;2-phenanthren-2-yl-4-phenylpyridine;2-phenanthren-2-yl-4-phenylpyrimidine;2-phenanthren-2-yl-4-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-[6,9-bis(4-phenyl-1,3,5-triazin-2-yl)phenanthren-2-yl]-1,3,5-triazin-2-yl]-1,10-phenanthroline;1-methyl-2-(3-phenanthren-2-ylphenyl)benzimidazole;1-methyl-6-(3-phenanthren-2-ylphenyl)benzimidazole;6-(3-phenanthren-2-ylphenyl)-1,3-benzothiazole;2-(3-phenanthren-2-ylphenyl)-1,3-benzoxazole;6-(3-phenanthren-2-ylphenyl)-1,3-benzoxazole;6-phenanthren-2-yl-8-phenylisoquinoline;2-phenanthren-2-yl-4-phenylpyridine;2-phenanthren-2-yl-4-phenylpyrimidine;2-phenanthren-2-yl-4-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-[6,9-bis(4-phenyl-1,3,5-triazin-2-yl)phenanthren-2-yl]-1,3,5-triazin-2-yl]-1,10-phenanthroline;1-methyl-2-(3-phenanthren-2-ylphenyl)benzimidazole;1-methyl-6-(3-phenanthren-2-ylphenyl)benzimidazole;6-(3-phenanthren-2-ylphenyl)-1,3-benzothiazole;2-(3-phenanthren-2-ylphenyl)-1,3-benzoxazole;6-(3-phenanthren-2-ylphenyl)-1,3-benzoxazole;6-phenanthren-2-yl-8-phenylisoquinoline;2-phenanthren-2-yl-4-phenylpyridine;2-phenanthren-2-yl-4-phenylpyrimidine;2-phenanthren-2-yl-4-phenyl-1,3,5-triazine is Cn1c(-c2cccc(-c3ccc4c(ccc5ccccc54)c3)c2)nc2ccccc21.Cn1cnc2ccc(-c3cccc(-c4ccc5c(ccc6ccccc65)c4)c3)cc21.c1cc(-c2ccc3c(ccc4ccccc43)c2)cc(-c2ccc3ncoc3c2)c1.c1cc(-c2ccc3c(ccc4ccccc43)c2)cc(-c2ccc3ncsc3c2)c1.c1cc(-c2ccc3c(ccc4ccccc43)c2)cc(-c2nc3ccccc3o2)c1.c1ccc(-c2cc(-c3ccc4c(ccc5ccccc54)c3)cc3ccncc23)cc1.c1ccc(-c2ccnc(-c3ccc4c(ccc5ccccc54)c3)c2)cc1.c1ccc(-c2ccnc(-c3ccc4c(ccc5ccccc54)c3)n2)cc1.c1ccc(-c2ncnc(-c3ccc4c(-c5ncnc(-c6ccccc6)n5)cc5cc(-c6ncnc(-c7ccc8ccc9cccnc9c8n7)n6)ccc5c4c3)n2)cc1.c1ccc(-c2ncnc(-c3ccc4c(ccc5ccccc54)c3)n2)cc1.
What is the InChIKey of 2-[4-[6,9-bis(4-phenyl-1,3,5-triazin-2-yl)phenanthren-2-yl]-1,3,5-triazin-2-yl]-1,10-phenanthroline;1-methyl-2-(3-phenanthren-2-ylphenyl)benzimidazole;1-methyl-6-(3-phenanthren-2-ylphenyl)benzimidazole;6-(3-phenanthren-2-ylphenyl)-1,3-benzothiazole;2-(3-phenanthren-2-ylphenyl)-1,3-benzoxazole;6-(3-phenanthren-2-ylphenyl)-1,3-benzoxazole;6-phenanthren-2-yl-8-phenylisoquinoline;2-phenanthren-2-yl-4-phenylpyridine;2-phenanthren-2-yl-4-phenylpyrimidine;2-phenanthren-2-yl-4-phenyl-1,3,5-triazine?
The InChIKey is FDTCPLNUGGWPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H27N11.C29H19N.2C28H20N2.2C27H17NO.C27H17NS.C25H17N.C24H16N2.C23H15N3/c1-3-8-30(9-4-1)42-49-25-51-45(56-42)33-16-19-36-37(23-33)35-18-15-32(22-34(35)24-38(36)46-53-26-50-43(57-46)31-10-5-2-6-11-31)44-52-27-54-47(58-44)39-20-17-29-14-13-28-12-7-21-48-40(28)41(29)55-39;1-2-6-20(7-3-1)28-18-25(17-24-14-15-30-19-29(24)28)22-12-13-27-23(16-22)11-10-21-8-4-5-9-26(21)27;1-30-27-12-5-4-11-26(27)29-28(30)23-9-6-8-20(18-23)21-15-16-25-22(17-21)14-13-19-7-2-3-10-24(19)25;1-30-18-29-27-14-12-23(17-28(27)30)21-7-4-6-20(15-21)22-11-13-26-24(16-22)10-9-19-5-2-3-8-25(19)26;1-2-9-23-18(6-1)12-13-21-16-20(14-15-24(21)23)19-7-5-8-22(17-19)27-28-25-10-3-4-11-26(25)29-27;2*1-2-7-24-18(4-1)8-9-23-15-21(10-12-25(23)24)19-5-3-6-20(14-19)22-11-13-26-27(16-22)29-17-28-26;1-2-6-18(7-3-1)20-14-15-26-25(17-20)22-12-13-24-21(16-22)11-10-19-8-4-5-9-23(19)24;1-2-7-18(8-3-1)23-14-15-25-24(26-23)20-12-13-22-19(16-20)11-10-17-6-4-5-9-21(17)22;1-2-7-17(8-3-1)22-24-15-25-23(26-22)19-12-13-21-18(14-19)11-10-16-6-4-5-9-20(16)21/h1-27H;1-19H;2*2-18H,1H3;3*1-17H;1-17H;1-16H;1-15H.
What are the key properties of 2-[4-[6,9-bis(4-phenyl-1,3,5-triazin-2-yl)phenanthren-2-yl]-1,3,5-triazin-2-yl]-1,10-phenanthroline;1-methyl-2-(3-phenanthren-2-ylphenyl)benzimidazole;1-methyl-6-(3-phenanthren-2-ylphenyl)benzimidazole;6-(3-phenanthren-2-ylphenyl)-1,3-benzothiazole;2-(3-phenanthren-2-ylphenyl)-1,3-benzoxazole;6-(3-phenanthren-2-ylphenyl)-1,3-benzoxazole;6-phenanthren-2-yl-8-phenylisoquinoline;2-phenanthren-2-yl-4-phenylpyridine;2-phenanthren-2-yl-4-phenylpyrimidine;2-phenanthren-2-yl-4-phenyl-1,3,5-triazine?
2-[4-[6,9-bis(4-phenyl-1,3,5-triazin-2-yl)phenanthren-2-yl]-1,3,5-triazin-2-yl]-1,10-phenanthroline;1-methyl-2-(3-phenanthren-2-ylphenyl)benzimidazole;1-methyl-6-(3-phenanthren-2-ylphenyl)benzimidazole;6-(3-phenanthren-2-ylphenyl)-1,3-benzothiazole;2-(3-phenanthren-2-ylphenyl)-1,3-benzoxazole;6-(3-phenanthren-2-ylphenyl)-1,3-benzoxazole;6-phenanthren-2-yl-8-phenylisoquinoline;2-phenanthren-2-yl-4-phenylpyridine;2-phenanthren-2-yl-4-phenylpyrimidine;2-phenanthren-2-yl-4-phenyl-1,3,5-triazine has a molecular weight of 4023.85 g/mol, XLogP of 73.17, 24 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6,9-bis(4-phenyl-1,3,5-triazin-2-yl)phenanthren-2-yl]-1,3,5-triazin-2-yl]-1,10-phenanthroline;1-methyl-2-(3-phenanthren-2-ylphenyl)benzimidazole;1-methyl-6-(3-phenanthren-2-ylphenyl)benzimidazole;6-(3-phenanthren-2-ylphenyl)-1,3-benzothiazole;2-(3-phenanthren-2-ylphenyl)-1,3-benzoxazole;6-(3-phenanthren-2-ylphenyl)-1,3-benzoxazole;6-phenanthren-2-yl-8-phenylisoquinoline;2-phenanthren-2-yl-4-phenylpyridine;2-phenanthren-2-yl-4-phenylpyrimidine;2-phenanthren-2-yl-4-phenyl-1,3,5-triazine is sourced from PubChem (CID 158001129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).