2-[6-(1-methyl-4,5-diphenylimidazol-2-yl)pyren-1-yl]-5-phenyl-1,3-oxazole;2-naphthalen-2-yl-5-[6-(5-phenyl-1,3-oxazol-2-yl)pyren-1-yl]-1,3,4-oxadiazole;5-phenyl-2-[6-(5-phenyl-1,3-thiazol-2-yl)pyren-1-yl]-1,3-oxazole

C112H68N8O4S — CID 159627895

IUPAC2-[6-(1-methyl-4,5-diphenylimidazol-2-yl)pyren-1-yl]-5-phenyl-1,3-oxazole;2-naphthalen-2-yl-5-[6-(5-phenyl-1,3-oxazol-2-yl)pyren-1-yl]-1,3,4-oxadiazole;5-phenyl-2-[6-(5-phenyl-1,3-thiazol-2-yl)pyren-1-yl]-1,3-oxazole
SMILESCn1c(-c2ccc3ccc4c(-c5ncc(-c6ccccc6)o5)ccc5ccc2c3c54)nc(-c2ccccc2)c1-c1ccccc1.c1ccc(-c2cnc(-c3ccc4ccc5c(-c6ncc(-c7ccccc7)s6)ccc6ccc3c4c65)o2)cc1.c1ccc(-c2cnc(-c3ccc4ccc5c(-c6nnc(-c7ccc8ccccc8c7)o6)ccc6ccc3c4c65)o2)cc1
InChIInChI=1S/C41H27N3O.C37H21N3O2.C34H20N2OS/c1-44-39(30-15-9-4-10-16-30)38(29-13-7-3-8-14-29)43-40(44)33-23-19-27-18-22-32-34(24-20-28-17-21-31(33)36(27)37(28)32)41-42-25-35(45-41)26-11-5-2-6-12-26;1-2-7-23(8-3-1)32-21-38-36(41-32)30-18-14-24-13-17-29-31(19-15-25-12-16-28(30)33(24)34(25)29)37-40-39-35(42-37)27-11-10-22-6-4-5-9-26(22)20-27;1-3-7-21(8-4-1)29-19-35-33(37-29)27-17-13-23-12-16-26-28(18-14-24-11-15-25(27)31(23)32(24)26)34-36-20-30(38-34)22-9-5-2-6-10-22/h2-25H,1H3;1-21H;1-20H
InChIKeyMOSUQCXCMBHSPU-UHFFFAOYSA-N
MW1621.89 g/mol
LogP30.11
Rot. Bonds13

About 2-[6-(1-methyl-4,5-diphenylimidazol-2-yl)pyren-1-yl]-5-phenyl-1,3-oxazole;2-naphthalen-2-yl-5-[6-(5-phenyl-1,3-oxazol-2-yl)pyren-1-yl]-1,3,4-oxadiazole;5-phenyl-2-[6-(5-phenyl-1,3-thiazol-2-yl)pyren-1-yl]-1,3-oxazole

2-[6-(1-methyl-4,5-diphenylimidazol-2-yl)pyren-1-yl]-5-phenyl-1,3-oxazole;2-naphthalen-2-yl-5-[6-(5-phenyl-1,3-oxazol-2-yl)pyren-1-yl]-1,3,4-oxadiazole;5-phenyl-2-[6-(5-phenyl-1,3-thiazol-2-yl)pyren-1-yl]-1,3-oxazole (PubChem CID 159627895) has the molecular formula C112H68N8O4S and a molecular weight of 1621.89 g/mol. Its IUPAC name is 2-[6-(1-methyl-4,5-diphenylimidazol-2-yl)pyren-1-yl]-5-phenyl-1,3-oxazole;2-naphthalen-2-yl-5-[6-(5-phenyl-1,3-oxazol-2-yl)pyren-1-yl]-1,3,4-oxadiazole;5-phenyl-2-[6-(5-phenyl-1,3-thiazol-2-yl)pyren-1-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[6-(1-methyl-4,5-diphenylimidazol-2-yl)pyren-1-yl]-5-phenyl-1,3-oxazole;2-naphthalen-2-yl-5-[6-(5-phenyl-1,3-oxazol-2-yl)pyren-1-yl]-1,3,4-oxadiazole;5-phenyl-2-[6-(5-phenyl-1,3-thiazol-2-yl)pyren-1-yl]-1,3-oxazole
PubChem CID159627895
Molecular FormulaC112H68N8O4S
Molecular Weight1621.89 g/mol
Exact Mass1620.51
IUPAC Name2-[6-(1-methyl-4,5-diphenylimidazol-2-yl)pyren-1-yl]-5-phenyl-1,3-oxazole;2-naphthalen-2-yl-5-[6-(5-phenyl-1,3-oxazol-2-yl)pyren-1-yl]-1,3,4-oxadiazole;5-phenyl-2-[6-(5-phenyl-1,3-thiazol-2-yl)pyren-1-yl]-1,3-oxazole
SMILESCn1c(-c2ccc3ccc4c(-c5ncc(-c6ccccc6)o5)ccc5ccc2c3c54)nc(-c2ccccc2)c1-c1ccccc1.c1ccc(-c2cnc(-c3ccc4ccc5c(-c6ncc(-c7ccccc7)s6)ccc6ccc3c4c65)o2)cc1.c1ccc(-c2cnc(-c3ccc4ccc5c(-c6nnc(-c7ccc8ccccc8c7)o6)ccc6ccc3c4c65)o2)cc1
InChIInChI=1S/C41H27N3O.C37H21N3O2.C34H20N2OS/c1-44-39(30-15-9-4-10-16-30)38(29-13-7-3-8-14-29)43-40(44)33-23-19-27-18-22-32-34(24-20-28-17-21-31(33)36(27)37(28)32)41-42-25-35(45-41)26-11-5-2-6-12-26;1-2-7-23(8-3-1)32-21-38-36(41-32)30-18-14-24-13-17-29-31(19-15-25-12-16-28(30)33(24)34(25)29)37-40-39-35(42-37)27-11-10-22-6-4-5-9-26(22)20-27;1-3-7-21(8-4-1)29-19-35-33(37-29)27-17-13-23-12-16-26-28(18-14-24-11-15-25(27)31(23)32(24)26)34-36-20-30(38-34)22-9-5-2-6-10-22/h2-25H,1H3;1-21H;1-20H
InChIKeyMOSUQCXCMBHSPU-UHFFFAOYSA-N
XLogP30.11
TPSA147.72 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001621.89
LogP ≤ 530.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-[6-(1-methyl-4,5-diphenylimidazol-2-yl)pyren-1-yl]-5-phenyl-1,3-oxazole;2-naphthalen-2-yl-5-[6-(5-phenyl-1,3-oxazol-2-yl)pyren-1-yl]-1,3,4-oxadiazole;5-phenyl-2-[6-(5-phenyl-1,3-thiazol-2-yl)pyren-1-yl]-1,3-oxazole with MolForge

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Related Compounds

2-[3,5-Bis(trifluoromethyl)phenyl]-5-methyl-1,3-oxazole;2-(4-fluorophenyl)-4-methyl-1,3-oxazole;2-(4-fluorophenyl)-5-methyl-1,3-oxazole;2-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(4-fluorophenyl)-5-methyl-1,3-thiazole;2-methyl-5-phenyl-1,2,4-oxadiazol-2-ium;4-methyl-2-phenyl-1,3-oxazole;5-methyl-2-phenyl-1,3-oxazole;5-methyl-2-(4-phenylphenyl)-1,3-oxazole;4-methyl-2-phenyl-1,3-thiazole;5-methyl-2-phenyl-1,3-thiazole;4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole;5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole;4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole;5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole;2-phenyl-1,3,4-oxadiazole;2-phenyl-1,3,4-thiadiazole;1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 158057893
2,5-Dimethylfuran;2,5-dimethyl-1,3-oxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;bis(1,2,3,4,5-pentamethylpyrrole);1,2,3,4-tetramethylbenzene;1,2,4,5-tetramethylbenzene;2,3,4,5-tetramethylfuran;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;2,3,5-trimethylfuran;1,2,5-trimethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,3,5-trimethyl-4-phenylfuran;2,3,5-trimethylpyrazine;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine;2,4,6-trimethylpyridine;1,2,5-trimethylpyrrole;2,4,5-trimethyl-1,3-thiazole;bis(2,3,5-trimethylthiophene);1,3-xylene;1,4-xylene
CID 157088584
1,4-Dimethyl-2-phenyl-5-(4-phenylphenyl)imidazole;tetrakis(iridium);1-methyl-2-phenyl-5-(4-phenylphenyl)imidazole;4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-oxazole;4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-thiazole
CID 157177756
Bis(5-(2,6-dimethyl-4-phenylphenyl)-1-methyl-2-phenylimidazole);3-(2,6-dimethyl-4-phenylphenyl)-4-methyl-5-phenyl-1,2,4-triazole;2-(2,6-dimethyl-4-phenylphenyl)-5-phenyl-1,3,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-2-phenyl-1,3-oxazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-oxazole;2-(2,6-dimethyl-4-phenylphenyl)-5-phenyl-1,3,4-thiadiazole;9-methyl-7-phenyl-2-phenyl-4,5-dihydrobenzo[g][1,3]benzothiazole;octakis(rhodium)
CID 157276427
2,5-Bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;bis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole);5-(4-tert-butylphenyl)-4-methyl-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole
CID 157311784
2-Methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1-naphthalen-1-ylbenzimidazole;2-methyl-1-naphthalen-2-ylbenzimidazole;2-methyl-1-phenylbenzimidazole;2-methyl-5-phenyl-1,3,4-oxadiazole;2-methyl-3-phenylphenanthro[9,10-d]imidazole;2-methyl-3-prop-2-enylbenzo[f]benzimidazole;prop-1-ene
CID 157343839
CID 157853447
CID 157853447
4-Methyl-2-phenyl-5-(4-phenylphenyl)triazole;5-methyl-1-phenyl-4-(4-phenylphenyl)triazole;2-phenyl-5-(4-phenylphenyl)-1,3-oxazole;2-phenyl-5-(4-phenylphenyl)-1,3-thiazole;tetrakis(rhodium)
CID 157958935
2,5-Bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-methylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;5-(4-methylphenyl)-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;3-(4-methylphenyl)-4-[3-nitro-4-(2-nitrophenyl)phenyl]-5-(4-phenylphenyl)-1,2,4-triazole;2-naphthalen-1-yl-1-(4-naphthalen-1-ylnaphthalen-1-yl)benzimidazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene
CID 158237084
Bis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole);2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;5-(4-tert-butylphenyl)-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene
CID 158250924
[1-Methyl-5-(1-phenylindazol-3-yl)imidazol-2-yl]methanol;[5-(1-phenylindazol-3-yl)-1,3-oxazol-2-yl]methanol;[5-(1-phenylindazol-3-yl)-1,3-thiazol-2-yl]methanol
CID 158560839
Bis(4-methylphenyl)-diphenylsilane;bis(4-methylphenyl)methanone;2,5-bis(4-methylphenyl)-1,3,4-oxadiazole;2,5-bis(4-methylphenyl)-1,3-oxazole;dimethyl-bis(4-methylphenyl)silane;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-4-phenyl-1,2,4-triazole;2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1,2-thiazole;4-isocyano-2,5-dimethylbenzonitrile;1,2,5-trimethylpyrrole
CID 158609640

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1-methyl-4,5-diphenylimidazol-2-yl)pyren-1-yl]-5-phenyl-1,3-oxazole;2-naphthalen-2-yl-5-[6-(5-phenyl-1,3-oxazol-2-yl)pyren-1-yl]-1,3,4-oxadiazole;5-phenyl-2-[6-(5-phenyl-1,3-thiazol-2-yl)pyren-1-yl]-1,3-oxazole?
The IUPAC name of 2-[6-(1-methyl-4,5-diphenylimidazol-2-yl)pyren-1-yl]-5-phenyl-1,3-oxazole;2-naphthalen-2-yl-5-[6-(5-phenyl-1,3-oxazol-2-yl)pyren-1-yl]-1,3,4-oxadiazole;5-phenyl-2-[6-(5-phenyl-1,3-thiazol-2-yl)pyren-1-yl]-1,3-oxazole (CID 159627895) is 2-[6-(1-methyl-4,5-diphenylimidazol-2-yl)pyren-1-yl]-5-phenyl-1,3-oxazole;2-naphthalen-2-yl-5-[6-(5-phenyl-1,3-oxazol-2-yl)pyren-1-yl]-1,3,4-oxadiazole;5-phenyl-2-[6-(5-phenyl-1,3-thiazol-2-yl)pyren-1-yl]-1,3-oxazole.
What is the SMILES notation for 2-[6-(1-methyl-4,5-diphenylimidazol-2-yl)pyren-1-yl]-5-phenyl-1,3-oxazole;2-naphthalen-2-yl-5-[6-(5-phenyl-1,3-oxazol-2-yl)pyren-1-yl]-1,3,4-oxadiazole;5-phenyl-2-[6-(5-phenyl-1,3-thiazol-2-yl)pyren-1-yl]-1,3-oxazole?
The canonical SMILES for 2-[6-(1-methyl-4,5-diphenylimidazol-2-yl)pyren-1-yl]-5-phenyl-1,3-oxazole;2-naphthalen-2-yl-5-[6-(5-phenyl-1,3-oxazol-2-yl)pyren-1-yl]-1,3,4-oxadiazole;5-phenyl-2-[6-(5-phenyl-1,3-thiazol-2-yl)pyren-1-yl]-1,3-oxazole is Cn1c(-c2ccc3ccc4c(-c5ncc(-c6ccccc6)o5)ccc5ccc2c3c54)nc(-c2ccccc2)c1-c1ccccc1.c1ccc(-c2cnc(-c3ccc4ccc5c(-c6ncc(-c7ccccc7)s6)ccc6ccc3c4c65)o2)cc1.c1ccc(-c2cnc(-c3ccc4ccc5c(-c6nnc(-c7ccc8ccccc8c7)o6)ccc6ccc3c4c65)o2)cc1.
What is the InChIKey of 2-[6-(1-methyl-4,5-diphenylimidazol-2-yl)pyren-1-yl]-5-phenyl-1,3-oxazole;2-naphthalen-2-yl-5-[6-(5-phenyl-1,3-oxazol-2-yl)pyren-1-yl]-1,3,4-oxadiazole;5-phenyl-2-[6-(5-phenyl-1,3-thiazol-2-yl)pyren-1-yl]-1,3-oxazole?
The InChIKey is MOSUQCXCMBHSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N3O.C37H21N3O2.C34H20N2OS/c1-44-39(30-15-9-4-10-16-30)38(29-13-7-3-8-14-29)43-40(44)33-23-19-27-18-22-32-34(24-20-28-17-21-31(33)36(27)37(28)32)41-42-25-35(45-41)26-11-5-2-6-12-26;1-2-7-23(8-3-1)32-21-38-36(41-32)30-18-14-24-13-17-29-31(19-15-25-12-16-28(30)33(24)34(25)29)37-40-39-35(42-37)27-11-10-22-6-4-5-9-26(22)20-27;1-3-7-21(8-4-1)29-19-35-33(37-29)27-17-13-23-12-16-26-28(18-14-24-11-15-25(27)31(23)32(24)26)34-36-20-30(38-34)22-9-5-2-6-10-22/h2-25H,1H3;1-21H;1-20H.
What are the key properties of 2-[6-(1-methyl-4,5-diphenylimidazol-2-yl)pyren-1-yl]-5-phenyl-1,3-oxazole;2-naphthalen-2-yl-5-[6-(5-phenyl-1,3-oxazol-2-yl)pyren-1-yl]-1,3,4-oxadiazole;5-phenyl-2-[6-(5-phenyl-1,3-thiazol-2-yl)pyren-1-yl]-1,3-oxazole?
2-[6-(1-methyl-4,5-diphenylimidazol-2-yl)pyren-1-yl]-5-phenyl-1,3-oxazole;2-naphthalen-2-yl-5-[6-(5-phenyl-1,3-oxazol-2-yl)pyren-1-yl]-1,3,4-oxadiazole;5-phenyl-2-[6-(5-phenyl-1,3-thiazol-2-yl)pyren-1-yl]-1,3-oxazole has a molecular weight of 1621.89 g/mol, XLogP of 30.11, 13 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1-methyl-4,5-diphenylimidazol-2-yl)pyren-1-yl]-5-phenyl-1,3-oxazole;2-naphthalen-2-yl-5-[6-(5-phenyl-1,3-oxazol-2-yl)pyren-1-yl]-1,3,4-oxadiazole;5-phenyl-2-[6-(5-phenyl-1,3-thiazol-2-yl)pyren-1-yl]-1,3-oxazole is sourced from PubChem (CID 159627895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).