2-[4-[4,6-bis(2,6-dipyridin-2-yl-4-pyridinyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis[3,5-di(pyrimidin-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(2-phenyl-6-pyridin-3-yl-4-pyridinyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole

C178H106N34O6 — CID 158779584

IUPAC2-[4-[4,6-bis(2,6-dipyridin-2-yl-4-pyridinyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis[3,5-di(pyrimidin-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(2-phenyl-6-pyridin-3-yl-4-pyridinyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
SMILESc1ccc(-c2cc(-c3nc(-c4ccc(-c5nc6ccccc6o5)cc4)nc(-c4cc(-c5ccccc5)nc(-c5cccnc5)c4)n3)cc(-c3cccnc3)n2)cc1.c1ccc(-c2cc(-c3nc(-c4ccc(-c5nc6ccccc6o5)cc4)nc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)n3)cc(-c3ccccn3)n2)nc1.c1ccc2oc(-c3ccc(-c4nc(-c5cc(-c6cncnc6)cc(-c6cncnc6)c5)nc(-c5cc(-c6cncnc6)cc(-c6cncnc6)c5)n4)cc3)nc2c1.c1ccc2oc(-c3ccc(-c4nc(-c5ccc6oc7ccccc7c6c5)nc(-c5ccc6oc7ccccc7c6c5)n4)cc3)nc2c1
InChIInChI=1S/C48H30N8O.C46H28N10O.C44H26N12O.C40H22N4O3/c1-3-11-31(12-4-1)40-25-37(27-42(51-40)35-15-9-23-49-29-35)46-54-45(33-19-21-34(22-20-33)48-53-39-17-7-8-18-44(39)57-48)55-47(56-46)38-26-41(32-13-5-2-6-14-32)52-43(28-38)36-16-10-24-50-30-36;1-2-16-42-37(15-1)53-46(57-42)30-19-17-29(18-20-30)43-54-44(31-25-38(33-11-3-7-21-47-33)51-39(26-31)34-12-4-8-22-48-34)56-45(55-43)32-27-40(35-13-5-9-23-49-35)52-41(28-32)36-14-6-10-24-50-36;1-2-4-40-39(3-1)53-44(57-40)28-7-5-27(6-8-28)41-54-42(33-11-29(35-15-45-23-46-16-35)9-30(12-33)36-17-47-24-48-18-36)56-43(55-41)34-13-31(37-19-49-25-50-20-37)10-32(14-34)38-21-51-26-52-22-38;1-4-10-32-27(7-1)29-21-25(17-19-34(29)45-32)38-42-37(23-13-15-24(16-14-23)40-41-31-9-3-6-12-36(31)47-40)43-39(44-38)26-18-20-35-30(22-26)28-8-2-5-11-33(28)46-35/h1-30H;1-28H;1-26H;1-22H
InChIKeyIQXAZGSVZROVQH-UHFFFAOYSA-N
MW2817.04 g/mol
LogP39.64
Rot. Bonds28

About 2-[4-[4,6-bis(2,6-dipyridin-2-yl-4-pyridinyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis[3,5-di(pyrimidin-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(2-phenyl-6-pyridin-3-yl-4-pyridinyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole

2-[4-[4,6-bis(2,6-dipyridin-2-yl-4-pyridinyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis[3,5-di(pyrimidin-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(2-phenyl-6-pyridin-3-yl-4-pyridinyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole (PubChem CID 158779584) has the molecular formula C178H106N34O6 and a molecular weight of 2817.04 g/mol. Its IUPAC name is 2-[4-[4,6-bis(2,6-dipyridin-2-yl-4-pyridinyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis[3,5-di(pyrimidin-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(2-phenyl-6-pyridin-3-yl-4-pyridinyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-[4,6-bis(2,6-dipyridin-2-yl-4-pyridinyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis[3,5-di(pyrimidin-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(2-phenyl-6-pyridin-3-yl-4-pyridinyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
PubChem CID158779584
Molecular FormulaC178H106N34O6
Molecular Weight2817.04 g/mol
Exact Mass2814.90
IUPAC Name2-[4-[4,6-bis(2,6-dipyridin-2-yl-4-pyridinyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis[3,5-di(pyrimidin-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(2-phenyl-6-pyridin-3-yl-4-pyridinyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
SMILESc1ccc(-c2cc(-c3nc(-c4ccc(-c5nc6ccccc6o5)cc4)nc(-c4cc(-c5ccccc5)nc(-c5cccnc5)c4)n3)cc(-c3cccnc3)n2)cc1.c1ccc(-c2cc(-c3nc(-c4ccc(-c5nc6ccccc6o5)cc4)nc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)n3)cc(-c3ccccn3)n2)nc1.c1ccc2oc(-c3ccc(-c4nc(-c5cc(-c6cncnc6)cc(-c6cncnc6)c5)nc(-c5cc(-c6cncnc6)cc(-c6cncnc6)c5)n4)cc3)nc2c1.c1ccc2oc(-c3ccc(-c4nc(-c5ccc6oc7ccccc7c6c5)nc(-c5ccc6oc7ccccc7c6c5)n4)cc3)nc2c1
InChIInChI=1S/C48H30N8O.C46H28N10O.C44H26N12O.C40H22N4O3/c1-3-11-31(12-4-1)40-25-37(27-42(51-40)35-15-9-23-49-29-35)46-54-45(33-19-21-34(22-20-33)48-53-39-17-7-8-18-44(39)57-48)55-47(56-46)38-26-41(32-13-5-2-6-14-32)52-43(28-38)36-16-10-24-50-30-36;1-2-16-42-37(15-1)53-46(57-42)30-19-17-29(18-20-30)43-54-44(31-25-38(33-11-3-7-21-47-33)51-39(26-31)34-12-4-8-22-48-34)56-45(55-43)32-27-40(35-13-5-9-23-49-35)52-41(28-32)36-14-6-10-24-50-36;1-2-4-40-39(3-1)53-44(57-40)28-7-5-27(6-8-28)41-54-42(33-11-29(35-15-45-23-46-16-35)9-30(12-33)36-17-47-24-48-18-36)56-43(55-41)34-13-31(37-19-49-25-50-20-37)10-32(14-34)38-21-51-26-52-22-38;1-4-10-32-27(7-1)29-21-25(17-19-34(29)45-32)38-42-37(23-13-15-24(16-14-23)40-41-31-9-3-6-12-36(31)47-40)43-39(44-38)26-18-20-35-30(22-26)28-8-2-5-11-33(28)46-35/h1-30H;1-28H;1-26H;1-22H
InChIKeyIQXAZGSVZROVQH-UHFFFAOYSA-N
XLogP39.64
TPSA517.10 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds28
Heavy Atoms218
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002817.04
LogP ≤ 539.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Analyze 2-[4-[4,6-bis(2,6-dipyridin-2-yl-4-pyridinyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis[3,5-di(pyrimidin-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(2-phenyl-6-pyridin-3-yl-4-pyridinyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[8-[4-[2-[4-[3-(6-Fluoro-[1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-6-pyridin-2-yl-[1]benzofuro[3,2-b]pyridin-8-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 142336487
(4,4-difluoropiperidin-1-yl)-[6-(2-methyl-1-benzofuran-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[3-(3,3-difluoropyrrolidin-1-yl)azetidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[3-(3,3-difluoropyrrolidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[3-[(3R)-3,4-dimethylpiperazin-1-yl]azetidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;(4-fluoropiperidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone
CID 157242209
4-[4-[3,5-Bis[4-(trifluoromethoxy)phenyl]phenyl]phenyl]-2,5,6-trimethylpyrimidine;2,4,5-trimethyl-6-[3-(5-methyl-2-pyridinyl)-5-phenanthren-9-ylphenyl]pyrimidine;5-[4-(2,5,6-trimethylpyrimidin-4-yl)phenyl]-1,10-phenanthroline;2-[4-[4-(2,5,6-trimethylpyrimidin-4-yl)phenyl]phenyl]-1,3-benzoxazole
CID 157544793
2-[3-[4-[2-[4-[3-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[2-[2-[2-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[2-[3-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[4-[2-[4-[4-[5,6-bis(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-bis(trifluoromethyl)-1,3-benzoxazole
CID 157737893
3-methoxy-N-methyl-4-[[4-propan-2-yloxy-5-[4-(1H-pyrrol-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-(2,2,2-trifluoroethyl)benzamide;N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-(trifluoromethyl)benzamide
CID 157850428
12-[(4,4-difluoropiperidin-1-yl)methyl]-4-(1H-inden-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[(4-fluoropiperidin-1-yl)methyl]-4-(1H-inden-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-inden-4-yl)-12-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 157972955
N,N-bis[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-methylbenzene-2-id-1-yl]-N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N-[3-[2-(2,6-dimethylphenyl)furo[2,3-c]pyridin-7-yl]-5-methylbenzene-2-id-1-yl]-N-[3-[2-(2,6-dimethylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]-2,4-dimethylpyridin-3-amine;tris(platinum(2+))
CID 158282275
2-[4-[9,9-Dihexyl-7-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]fluoren-2-yl]phenyl]-5-methyl-[1,3]oxazolo[4,5-b]pyridine;2-[5-[9,9-dimethyl-7-[2-methyl-6-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]fluoren-2-yl]-6-methyl-2-pyridinyl]-5-methyl-[1,3]oxazolo[4,5-b]pyridine;2-[4-[9,9-dimethyl-7-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]fluoren-2-yl]phenyl]-5-methyl-[1,3]oxazolo[4,5-b]pyridine;2-[4-[9,9-dimethyl-7-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]fluoren-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine;5-methyl-2-[6-methyl-5-[7-[2-methyl-6-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-2-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine
CID 158312442
2-[4-[3-[2-[4-[4-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[4-[2-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4,5,6,7-tetrakis(trifluoromethyl)-1,3-benzoxazole;2-[4-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-4,5,6,7-tetrakis(trifluoromethyl)-1,3-benzoxazole
CID 158383395
2-[4-[3-[2-[3-[4-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[4-[2-[4-[4-[5,6-bis(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-bis(trifluoromethyl)-1,3-benzoxazole;4-methyl-2-[4-[4-[2-[4-[4-[7-methyl-4-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-7-(trifluoromethyl)-1,3-benzoxazole;4-methyl-2-[4-[4-[2-[4-[4-[7-methyl-4,5,6-tris(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6,7-tris(trifluoromethyl)-1,3-benzoxazole
CID 158435449
7-Propan-2-yl-2-[4-[[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methylamino]methyl]phenyl]-1,3-benzoxazole-5-carbonitrile;7-propan-2-yl-2-[4-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxymethyl]phenyl]-1,3-benzoxazole-5-carbonitrile;7-propan-2-yl-2-[4-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methoxymethyl]phenyl]-1,3-benzoxazole-5-carbonitrile;7-propan-2-yl-2-[4-[[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methylamino]methyl]phenyl]-1,3-benzoxazole-5-carbonitrile
CID 158538481
(4,4-Difluoropiperidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[3-(3,3-difluoropyrrolidin-1-yl)azetidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[3-(3,3-difluoropyrrolidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;(4-fluoropiperidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 158954770

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4,6-bis(2,6-dipyridin-2-yl-4-pyridinyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis[3,5-di(pyrimidin-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(2-phenyl-6-pyridin-3-yl-4-pyridinyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole?
The IUPAC name of 2-[4-[4,6-bis(2,6-dipyridin-2-yl-4-pyridinyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis[3,5-di(pyrimidin-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(2-phenyl-6-pyridin-3-yl-4-pyridinyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole (CID 158779584) is 2-[4-[4,6-bis(2,6-dipyridin-2-yl-4-pyridinyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis[3,5-di(pyrimidin-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(2-phenyl-6-pyridin-3-yl-4-pyridinyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-[4,6-bis(2,6-dipyridin-2-yl-4-pyridinyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis[3,5-di(pyrimidin-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(2-phenyl-6-pyridin-3-yl-4-pyridinyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-[4,6-bis(2,6-dipyridin-2-yl-4-pyridinyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis[3,5-di(pyrimidin-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(2-phenyl-6-pyridin-3-yl-4-pyridinyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole is c1ccc(-c2cc(-c3nc(-c4ccc(-c5nc6ccccc6o5)cc4)nc(-c4cc(-c5ccccc5)nc(-c5cccnc5)c4)n3)cc(-c3cccnc3)n2)cc1.c1ccc(-c2cc(-c3nc(-c4ccc(-c5nc6ccccc6o5)cc4)nc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)n3)cc(-c3ccccn3)n2)nc1.c1ccc2oc(-c3ccc(-c4nc(-c5cc(-c6cncnc6)cc(-c6cncnc6)c5)nc(-c5cc(-c6cncnc6)cc(-c6cncnc6)c5)n4)cc3)nc2c1.c1ccc2oc(-c3ccc(-c4nc(-c5ccc6oc7ccccc7c6c5)nc(-c5ccc6oc7ccccc7c6c5)n4)cc3)nc2c1.
What is the InChIKey of 2-[4-[4,6-bis(2,6-dipyridin-2-yl-4-pyridinyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis[3,5-di(pyrimidin-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(2-phenyl-6-pyridin-3-yl-4-pyridinyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole?
The InChIKey is IQXAZGSVZROVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N8O.C46H28N10O.C44H26N12O.C40H22N4O3/c1-3-11-31(12-4-1)40-25-37(27-42(51-40)35-15-9-23-49-29-35)46-54-45(33-19-21-34(22-20-33)48-53-39-17-7-8-18-44(39)57-48)55-47(56-46)38-26-41(32-13-5-2-6-14-32)52-43(28-38)36-16-10-24-50-30-36;1-2-16-42-37(15-1)53-46(57-42)30-19-17-29(18-20-30)43-54-44(31-25-38(33-11-3-7-21-47-33)51-39(26-31)34-12-4-8-22-48-34)56-45(55-43)32-27-40(35-13-5-9-23-49-35)52-41(28-32)36-14-6-10-24-50-36;1-2-4-40-39(3-1)53-44(57-40)28-7-5-27(6-8-28)41-54-42(33-11-29(35-15-45-23-46-16-35)9-30(12-33)36-17-47-24-48-18-36)56-43(55-41)34-13-31(37-19-49-25-50-20-37)10-32(14-34)38-21-51-26-52-22-38;1-4-10-32-27(7-1)29-21-25(17-19-34(29)45-32)38-42-37(23-13-15-24(16-14-23)40-41-31-9-3-6-12-36(31)47-40)43-39(44-38)26-18-20-35-30(22-26)28-8-2-5-11-33(28)46-35/h1-30H;1-28H;1-26H;1-22H.
What are the key properties of 2-[4-[4,6-bis(2,6-dipyridin-2-yl-4-pyridinyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis[3,5-di(pyrimidin-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(2-phenyl-6-pyridin-3-yl-4-pyridinyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole?
2-[4-[4,6-bis(2,6-dipyridin-2-yl-4-pyridinyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis[3,5-di(pyrimidin-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(2-phenyl-6-pyridin-3-yl-4-pyridinyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole has a molecular weight of 2817.04 g/mol, XLogP of 39.64, 28 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4,6-bis(2,6-dipyridin-2-yl-4-pyridinyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis[3,5-di(pyrimidin-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(2-phenyl-6-pyridin-3-yl-4-pyridinyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 158779584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).