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-di(dibenzofuran-1-yl)-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-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole

C250H142N38O14 — CID 158534687

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-di(dibenzofuran-1-yl)-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-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
SMILESc1ccc(-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(-c5ccc6c(c5)oc5ccccc56)nc(-c5ccc6c(c5)oc5ccccc56)n4)cc3)nc2c1.c1ccc2oc(-c3ccc(-c4nc(-c5ccc6oc7ccccc7c6c5)nc(-c5ccc6oc7ccccc7c6c5)n4)cc3)nc2c1.c1ccc2oc(-c3ccc(-c4nc(-c5cccc6c5oc5ccccc56)nc(-c5cccc6c5oc5ccccc56)n4)cc3)nc2c1.c1ccc2oc(-c3ccc(-c4nc(-c5cccc6oc7ccccc7c56)nc(-c5cccc6oc7ccccc7c56)n4)cc3)nc2c1
InChIInChI=1S/C46H28N10O.C44H26N12O.4C40H22N4O3/c1-2-16-42-37(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;1-4-16-32-25(9-1)27-11-7-13-29(35(27)45-32)38-42-37(23-19-21-24(22-20-23)40-41-31-15-3-6-18-34(31)47-40)43-39(44-38)30-14-8-12-28-26-10-2-5-17-33(26)46-36(28)30;1-4-14-30-25(9-1)35-27(11-7-17-33(35)45-30)38-42-37(23-19-21-24(22-20-23)40-41-29-13-3-6-16-32(29)47-40)43-39(44-38)28-12-8-18-34-36(28)26-10-2-5-15-31(26)46-34;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;1-4-10-32-27(7-1)29-19-17-25(21-35(29)45-32)38-42-37(23-13-15-24(16-14-23)40-41-31-9-3-6-12-34(31)47-40)43-39(44-38)26-18-20-30-28-8-2-5-11-33(28)46-36(30)22-26/h1-28H;1-26H;4*1-22H
InChIKeyHNUJNSOIWCAWIR-UHFFFAOYSA-N
MW3902.14 g/mol
LogP60.15
Rot. Bonds32

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-di(dibenzofuran-1-yl)-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-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-di(dibenzofuran-4-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-di(dibenzofuran-1-yl)-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-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole (PubChem CID 158534687) has the molecular formula C250H142N38O14 and a molecular weight of 3902.14 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-di(dibenzofuran-1-yl)-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-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-di(dibenzofuran-4-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-di(dibenzofuran-1-yl)-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-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
PubChem CID158534687
Molecular FormulaC250H142N38O14
Molecular Weight3902.14 g/mol
Exact Mass3899.16
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-di(dibenzofuran-1-yl)-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-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
SMILESc1ccc(-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(-c5ccc6c(c5)oc5ccccc56)nc(-c5ccc6c(c5)oc5ccccc56)n4)cc3)nc2c1.c1ccc2oc(-c3ccc(-c4nc(-c5ccc6oc7ccccc7c6c5)nc(-c5ccc6oc7ccccc7c6c5)n4)cc3)nc2c1.c1ccc2oc(-c3ccc(-c4nc(-c5cccc6c5oc5ccccc56)nc(-c5cccc6c5oc5ccccc56)n4)cc3)nc2c1.c1ccc2oc(-c3ccc(-c4nc(-c5cccc6oc7ccccc7c56)nc(-c5cccc6oc7ccccc7c56)n4)cc3)nc2c1
InChIInChI=1S/C46H28N10O.C44H26N12O.4C40H22N4O3/c1-2-16-42-37(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;1-4-16-32-25(9-1)27-11-7-13-29(35(27)45-32)38-42-37(23-19-21-24(22-20-23)40-41-31-15-3-6-18-34(31)47-40)43-39(44-38)30-14-8-12-28-26-10-2-5-17-33(26)46-36(28)30;1-4-14-30-25(9-1)35-27(11-7-17-33(35)45-30)38-42-37(23-19-21-24(22-20-23)40-41-29-13-3-6-16-32(29)47-40)43-39(44-38)28-12-8-18-34-36(28)26-10-2-5-15-31(26)46-34;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;1-4-10-32-27(7-1)29-19-17-25(21-35(29)45-32)38-42-37(23-13-15-24(16-14-23)40-41-31-9-3-6-12-34(31)47-40)43-39(44-38)26-18-20-30-28-8-2-5-11-33(28)46-36(30)22-26/h1-28H;1-26H;4*1-22H
InChIKeyHNUJNSOIWCAWIR-UHFFFAOYSA-N
XLogP60.15
TPSA673.78 Ų
H-Bond Donors
H-Bond Acceptors52
Rotatable Bonds32
Heavy Atoms302
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003902.14
LogP ≤ 560.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1052

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-di(dibenzofuran-1-yl)-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-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole with MolForge

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Related Compounds

2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-(4-dibenzofuran-1-ylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-(4-dibenzofuran-1-ylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-(3-dibenzofuran-1-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-(4-dibenzofuran-1-ylphenyl)-1,3,5-triazine
CID 157059283
5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenyl-1,3-benzoxazole;5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2-phenyl-1,3-benzoxazole;7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-2-phenyl-1,3-benzoxazole;7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenyl-1,3-benzoxazole;7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2-phenyl-1,3-benzoxazole;7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenyl-1,3-benzoxazole;7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-2-phenyl-1,3-benzoxazole;7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenyl-1,3-benzoxazole
CID 159286217
2-dibenzofuran-4-yl-4-phenyl-6-[8-(4-pyridin-2-ylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142353224
2-dibenzofuran-1-yl-4-[3-[3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaen-5-yl)-4,6-diphenyl-1,3,5-triazine;2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)-4,6-diphenyl-1,3,5-triazine;2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164950806
8-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazole
CID 167127603
6-[6-[4-dibenzofuran-4-yl-6-[6-(2-phenyl-1,3-benzoxazol-6-yl)naphthalen-2-yl]-1,3,5-triazin-2-yl]naphthalen-2-yl]-2-phenyl-1,3-benzoxazole;5-[4-[4-(4-dibenzofuran-2-ylphenyl)-6-[4-(2-phenyl-1,3-benzoxazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole;6-[4-[4-(4-dibenzofuran-2-ylphenyl)-6-[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole
CID 159598829
2-[4-[4-[4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3-benzoxazole
CID 170681623
2,4-di(dibenzofuran-1-yl)-6-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenyl]-1,3,5-triazine;2,4-di(dibenzofuran-4-yl)-6-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenyl]-1,3,5-triazine;2-[8-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaen-5-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 164992462
6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)-6-(2-phenyl-1,3-benzoxazol-6-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole;6-[4-[3,5-di(pyrimidin-5-yl)phenyl]-6-(2-phenyl-1,3-benzoxazol-6-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole;6-[4-(4-isoquinolin-1-ylphenyl)-6-(2-phenyl-1,3-benzoxazol-6-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole;6-[4-(4-isoquinolin-5-ylphenyl)-6-(2-phenyl-1,3-benzoxazol-6-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole;6-[4-(4-isoquinolin-8-ylphenyl)-6-(2-phenyl-1,3-benzoxazol-6-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole;2-phenyl-6-[4-(2-phenyl-1,3-benzoxazol-6-yl)-6-(4-quinolin-8-ylphenyl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
CID 157368837
2-dibenzofuran-4-yl-4-phenyl-6-(7-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166952539
2-dibenzofuran-4-yl-4-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 163803934
2-dibenzofuran-4-yl-4-phenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741541

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-di(dibenzofuran-1-yl)-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-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-di(dibenzofuran-4-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-di(dibenzofuran-1-yl)-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-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole (CID 158534687) 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-di(dibenzofuran-1-yl)-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-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-di(dibenzofuran-4-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-di(dibenzofuran-1-yl)-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-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-di(dibenzofuran-4-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-di(dibenzofuran-1-yl)-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-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole is 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(-c5ccc6c(c5)oc5ccccc56)nc(-c5ccc6c(c5)oc5ccccc56)n4)cc3)nc2c1.c1ccc2oc(-c3ccc(-c4nc(-c5ccc6oc7ccccc7c6c5)nc(-c5ccc6oc7ccccc7c6c5)n4)cc3)nc2c1.c1ccc2oc(-c3ccc(-c4nc(-c5cccc6c5oc5ccccc56)nc(-c5cccc6c5oc5ccccc56)n4)cc3)nc2c1.c1ccc2oc(-c3ccc(-c4nc(-c5cccc6oc7ccccc7c56)nc(-c5cccc6oc7ccccc7c56)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-di(dibenzofuran-1-yl)-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-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole?
The InChIKey is HNUJNSOIWCAWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N10O.C44H26N12O.4C40H22N4O3/c1-2-16-42-37(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;1-4-16-32-25(9-1)27-11-7-13-29(35(27)45-32)38-42-37(23-19-21-24(22-20-23)40-41-31-15-3-6-18-34(31)47-40)43-39(44-38)30-14-8-12-28-26-10-2-5-17-33(26)46-36(28)30;1-4-14-30-25(9-1)35-27(11-7-17-33(35)45-30)38-42-37(23-19-21-24(22-20-23)40-41-29-13-3-6-16-32(29)47-40)43-39(44-38)28-12-8-18-34-36(28)26-10-2-5-15-31(26)46-34;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;1-4-10-32-27(7-1)29-19-17-25(21-35(29)45-32)38-42-37(23-13-15-24(16-14-23)40-41-31-9-3-6-12-34(31)47-40)43-39(44-38)26-18-20-30-28-8-2-5-11-33(28)46-36(30)22-26/h1-28H;1-26H;4*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-di(dibenzofuran-1-yl)-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-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-di(dibenzofuran-4-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-di(dibenzofuran-1-yl)-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-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole has a molecular weight of 3902.14 g/mol, XLogP of 60.15, 32 rotatable bonds, 0 hydrogen bond donors, and 52 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-di(dibenzofuran-1-yl)-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-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 158534687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).