6-[3-(2,6-dimethyl-3-pyridinyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzoxazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]-2-phenyl-1,3-benzoxazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-8-ylphenyl]-2-phenyl-1,3-benzoxazole

C128H84N14O3 — CID 157205676

IUPAC6-[3-(2,6-dimethyl-3-pyridinyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzoxazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]-2-phenyl-1,3-benzoxazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-8-ylphenyl]-2-phenyl-1,3-benzoxazole
SMILESCc1ccc(-c2cc(-c3ccc4nc(-c5ccccc5)oc4c3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c(C)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5nc(-c6ccccc6)oc5c4)cc(-c4cccc5ccccc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5nc(-c6ccccc6)oc5c4)cc(-c4cccc5cccnc45)c3)n2)cc1
InChIInChI=1S/C44H28N4O.C43H27N5O.C41H29N5O/c1-4-14-30(15-5-1)41-46-42(31-16-6-2-7-17-31)48-43(47-41)36-26-34(25-35(27-36)38-22-12-20-29-13-10-11-21-37(29)38)33-23-24-39-40(28-33)49-44(45-39)32-18-8-3-9-19-32;1-4-12-29(13-5-1)40-46-41(30-14-6-2-7-15-30)48-42(47-40)35-25-33(24-34(26-35)36-20-10-18-28-19-11-23-44-39(28)36)32-21-22-37-38(27-32)49-43(45-37)31-16-8-3-9-17-31;1-26-18-20-35(27(2)42-26)33-22-32(31-19-21-36-37(25-31)47-41(43-36)30-16-10-5-11-17-30)23-34(24-33)40-45-38(28-12-6-3-7-13-28)44-39(46-40)29-14-8-4-9-15-29/h1-28H;1-27H;3-25H,1-2H3
InChIKeyARICRKGUHBVCTG-UHFFFAOYSA-N
MW1866.17 g/mol
LogP31.76
Rot. Bonds18

About 6-[3-(2,6-dimethyl-3-pyridinyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzoxazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]-2-phenyl-1,3-benzoxazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-8-ylphenyl]-2-phenyl-1,3-benzoxazole

6-[3-(2,6-dimethyl-3-pyridinyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzoxazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]-2-phenyl-1,3-benzoxazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-8-ylphenyl]-2-phenyl-1,3-benzoxazole (PubChem CID 157205676) has the molecular formula C128H84N14O3 and a molecular weight of 1866.17 g/mol. Its IUPAC name is 6-[3-(2,6-dimethyl-3-pyridinyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzoxazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]-2-phenyl-1,3-benzoxazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-8-ylphenyl]-2-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name6-[3-(2,6-dimethyl-3-pyridinyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzoxazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]-2-phenyl-1,3-benzoxazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-8-ylphenyl]-2-phenyl-1,3-benzoxazole
PubChem CID157205676
Molecular FormulaC128H84N14O3
Molecular Weight1866.17 g/mol
Exact Mass1864.69
IUPAC Name6-[3-(2,6-dimethyl-3-pyridinyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzoxazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]-2-phenyl-1,3-benzoxazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-8-ylphenyl]-2-phenyl-1,3-benzoxazole
SMILESCc1ccc(-c2cc(-c3ccc4nc(-c5ccccc5)oc4c3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c(C)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5nc(-c6ccccc6)oc5c4)cc(-c4cccc5ccccc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5nc(-c6ccccc6)oc5c4)cc(-c4cccc5cccnc45)c3)n2)cc1
InChIInChI=1S/C44H28N4O.C43H27N5O.C41H29N5O/c1-4-14-30(15-5-1)41-46-42(31-16-6-2-7-17-31)48-43(47-41)36-26-34(25-35(27-36)38-22-12-20-29-13-10-11-21-37(29)38)33-23-24-39-40(28-33)49-44(45-39)32-18-8-3-9-19-32;1-4-12-29(13-5-1)40-46-41(30-14-6-2-7-15-30)48-42(47-40)35-25-33(24-34(26-35)36-20-10-18-28-19-11-23-44-39(28)36)32-21-22-37-38(27-32)49-43(45-37)31-16-8-3-9-17-31;1-26-18-20-35(27(2)42-26)33-22-32(31-19-21-36-37(25-31)47-41(43-36)30-16-10-5-11-17-30)23-34(24-33)40-45-38(28-12-6-3-7-13-28)44-39(46-40)29-14-8-4-9-15-29/h1-28H;1-27H;3-25H,1-2H3
InChIKeyARICRKGUHBVCTG-UHFFFAOYSA-N
XLogP31.76
TPSA219.88 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001866.17
LogP ≤ 531.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 6-[3-(2,6-dimethyl-3-pyridinyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzoxazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]-2-phenyl-1,3-benzoxazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-8-ylphenyl]-2-phenyl-1,3-benzoxazole with MolForge

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Related Compounds

2-(1,3-Dihydroisoindol-2-yl)-6-(1-methylindol-5-yl)-1,3-benzoxazole
CID 90665353
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 58480069
2-[3-[4-[3,5-Bis[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]phenyl]-5-quinolin-5-ylphenyl]-1,3-benzoxazole
CID 59439666
4-Fluoro-6-[8-fluoro-2-(1-methylpiperidin-4-yl)quinazolin-6-yl]-2-methyl-1,3-benzoxazole
CID 156311347
6-[2-(1-Cyclopropylpiperidin-4-yl)quinazolin-6-yl]-4-fluoro-2-methyl-1,3-benzoxazole
CID 156311371
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
2,4-Diphenyl-6-[10-[7-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]anthracen-9-yl]-1,3,5-triazine;6-[10-(2-isocyanophenyl)anthracen-9-yl]-3-(10-phenylanthracen-9-yl)dibenzofuran;3-[10-[7-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]anthracen-9-yl]pyridine;3-[3-[10-[7-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]anthracen-9-yl]-5-pyridin-3-ylphenyl]pyridine;7-[10-[7-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]anthracen-9-yl]quinoline;3-(10-phenylanthracen-9-yl)-6-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran
CID 157749525
1-(3,3-dimethylbutyl)indole;N-(3,3-dimethylbutyl)-N-methyl-1,3-benzoxazol-2-amine;4-(3,3-dimethylbutyl)-5-methyl-2-phenyl-1,3-oxazole;N-(3,3-dimethylbutyl)-N-methylpyridin-2-amine;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene
CID 159522960
3-[4-(1,3-benzoxazol-2-yl)-6-(2-methylpyrimidin-5-yl)-1,3,5-triazin-2-yl]-5-isocyanobenzonitrile;(2Z)-2-[4-[(Z)-cyano-(2-methylpurin-8-ylidene)methyl]-6-[(E)-isocyano-(2-methylpurin-8-ylidene)methyl]-1,3,5-triazin-2-yl]-2-(5-methylimidazo[4,5-b]pyridin-2-ylidene)acetonitrile;(2Z)-2-[4-[(Z)-cyano-(2-methylpurin-8-ylidene)methyl]-6-[(E)-isocyano-[2-(trifluoromethyl)purin-8-ylidene]methyl]-1,3,5-triazin-2-yl]-2-(2-methylpurin-8-ylidene)acetonitrile;2-(4-phenyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole
CID 160260088
2-[4-[3,5-Bis[4-(trifluoromethoxy)phenyl]phenyl]phenyl]-4,5,6-triphenylpyrimidine;2-[4-[2-(4-isocyanophenyl)naphthalen-1-yl]phenyl]-4,5,6-triphenylpyrimidine;2-[3-(5-methyl-2-pyridinyl)-5-phenanthren-9-ylphenyl]-4,5,6-triphenylpyrimidine;2-[4-[4-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)phenyl]phenyl]-1,3-benzoxazole
CID 160278759
2-[3-(2-Cyclohexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]quinazoline;4-(2,6-dimethylphenyl)-2-(3-phenylbenzene-6-id-1-yl)quinazoline;2-[4-fluoro-3-[3-(4-phenylbutyl)phenyl]benzene-6-id-1-yl]quinazoline;2-(4-hexylbenzene-6-id-1-yl)quinazoline;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-8-methylquinazoline;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(3-pentylbenzene-6-id-1-yl)-6-phenyl-8-propan-2-ylquinazoline;2-(3-phenylbenzene-6-id-1-yl)-4-(6-phenylhexyl)quinazoline;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzoxazole;4-phenyl-2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]quinazoline
CID 160805991
1,6-Bis(10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran;1,6-bis[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran;2-[10-[6-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]dibenzofuran-1-yl]anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine;3-[3-[10-[6-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]dibenzofuran-1-yl]anthracen-9-yl]-5-pyridin-3-ylphenyl]pyridine;3-[10-[6-(10-pyridin-3-ylanthracen-9-yl)dibenzofuran-1-yl]anthracen-9-yl]pyridine;7-[10-[6-(10-quinolin-7-ylanthracen-9-yl)dibenzofuran-1-yl]anthracen-9-yl]quinoline
CID 160998925

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2,6-dimethyl-3-pyridinyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzoxazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]-2-phenyl-1,3-benzoxazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-8-ylphenyl]-2-phenyl-1,3-benzoxazole?
The IUPAC name of 6-[3-(2,6-dimethyl-3-pyridinyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzoxazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]-2-phenyl-1,3-benzoxazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-8-ylphenyl]-2-phenyl-1,3-benzoxazole (CID 157205676) is 6-[3-(2,6-dimethyl-3-pyridinyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzoxazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]-2-phenyl-1,3-benzoxazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-8-ylphenyl]-2-phenyl-1,3-benzoxazole.
What is the SMILES notation for 6-[3-(2,6-dimethyl-3-pyridinyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzoxazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]-2-phenyl-1,3-benzoxazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-8-ylphenyl]-2-phenyl-1,3-benzoxazole?
The canonical SMILES for 6-[3-(2,6-dimethyl-3-pyridinyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzoxazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]-2-phenyl-1,3-benzoxazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-8-ylphenyl]-2-phenyl-1,3-benzoxazole is Cc1ccc(-c2cc(-c3ccc4nc(-c5ccccc5)oc4c3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c(C)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5nc(-c6ccccc6)oc5c4)cc(-c4cccc5ccccc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5nc(-c6ccccc6)oc5c4)cc(-c4cccc5cccnc45)c3)n2)cc1.
What is the InChIKey of 6-[3-(2,6-dimethyl-3-pyridinyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzoxazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]-2-phenyl-1,3-benzoxazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-8-ylphenyl]-2-phenyl-1,3-benzoxazole?
The InChIKey is ARICRKGUHBVCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4O.C43H27N5O.C41H29N5O/c1-4-14-30(15-5-1)41-46-42(31-16-6-2-7-17-31)48-43(47-41)36-26-34(25-35(27-36)38-22-12-20-29-13-10-11-21-37(29)38)33-23-24-39-40(28-33)49-44(45-39)32-18-8-3-9-19-32;1-4-12-29(13-5-1)40-46-41(30-14-6-2-7-15-30)48-42(47-40)35-25-33(24-34(26-35)36-20-10-18-28-19-11-23-44-39(28)36)32-21-22-37-38(27-32)49-43(45-37)31-16-8-3-9-17-31;1-26-18-20-35(27(2)42-26)33-22-32(31-19-21-36-37(25-31)47-41(43-36)30-16-10-5-11-17-30)23-34(24-33)40-45-38(28-12-6-3-7-13-28)44-39(46-40)29-14-8-4-9-15-29/h1-28H;1-27H;3-25H,1-2H3.
What are the key properties of 6-[3-(2,6-dimethyl-3-pyridinyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzoxazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]-2-phenyl-1,3-benzoxazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-8-ylphenyl]-2-phenyl-1,3-benzoxazole?
6-[3-(2,6-dimethyl-3-pyridinyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzoxazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]-2-phenyl-1,3-benzoxazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-8-ylphenyl]-2-phenyl-1,3-benzoxazole has a molecular weight of 1866.17 g/mol, XLogP of 31.76, 18 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2,6-dimethyl-3-pyridinyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzoxazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]-2-phenyl-1,3-benzoxazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-8-ylphenyl]-2-phenyl-1,3-benzoxazole is sourced from PubChem (CID 157205676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).