2-(3,5-diphenylphenyl)-4-methyl-6-phenyl-1,3,5-triazine;1-methyl-2-phenylbenzimidazole;2-methyl-3-phenylimidazo[4,5-b]pyrazine;2-methyl-5-phenyl-1,3,4-oxadiazole;2-methyl-5-phenyl-1,3,4-thiadiazole;1-methyl-2,4,5-triphenylimidazole

C94H77N15OS — CID 159984606

IUPAC2-(3,5-diphenylphenyl)-4-methyl-6-phenyl-1,3,5-triazine;1-methyl-2-phenylbenzimidazole;2-methyl-3-phenylimidazo[4,5-b]pyrazine;2-methyl-5-phenyl-1,3,4-oxadiazole;2-methyl-5-phenyl-1,3,4-thiadiazole;1-methyl-2,4,5-triphenylimidazole
SMILESCc1nc(-c2ccccc2)nc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)n1.Cc1nc2nccnc2n1-c1ccccc1.Cc1nnc(-c2ccccc2)o1.Cc1nnc(-c2ccccc2)s1.Cn1c(-c2ccccc2)nc(-c2ccccc2)c1-c1ccccc1.Cn1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C28H21N3.C22H18N2.C14H12N2.C12H10N4.C9H8N2O.C9H8N2S/c1-20-29-27(23-15-9-4-10-16-23)31-28(30-20)26-18-24(21-11-5-2-6-12-21)17-25(19-26)22-13-7-3-8-14-22;1-24-21(18-13-7-3-8-14-18)20(17-11-5-2-6-12-17)23-22(24)19-15-9-4-10-16-19;1-16-13-10-6-5-9-12(13)15-14(16)11-7-3-2-4-8-11;1-9-15-11-12(14-8-7-13-11)16(9)10-5-3-2-4-6-10;2*1-7-10-11-9(12-7)8-5-3-2-4-6-8/h2-19H,1H3;2-16H,1H3;2-10H,1H3;2-8H,1H3;2*2-6H,1H3
InChIKeyOGEDHIYSHZLKMS-UHFFFAOYSA-N
MW1464.82 g/mol
LogP22.19
Rot. Bonds11

About 2-(3,5-diphenylphenyl)-4-methyl-6-phenyl-1,3,5-triazine;1-methyl-2-phenylbenzimidazole;2-methyl-3-phenylimidazo[4,5-b]pyrazine;2-methyl-5-phenyl-1,3,4-oxadiazole;2-methyl-5-phenyl-1,3,4-thiadiazole;1-methyl-2,4,5-triphenylimidazole

2-(3,5-diphenylphenyl)-4-methyl-6-phenyl-1,3,5-triazine;1-methyl-2-phenylbenzimidazole;2-methyl-3-phenylimidazo[4,5-b]pyrazine;2-methyl-5-phenyl-1,3,4-oxadiazole;2-methyl-5-phenyl-1,3,4-thiadiazole;1-methyl-2,4,5-triphenylimidazole (PubChem CID 159984606) has the molecular formula C94H77N15OS and a molecular weight of 1464.82 g/mol. Its IUPAC name is 2-(3,5-diphenylphenyl)-4-methyl-6-phenyl-1,3,5-triazine;1-methyl-2-phenylbenzimidazole;2-methyl-3-phenylimidazo[4,5-b]pyrazine;2-methyl-5-phenyl-1,3,4-oxadiazole;2-methyl-5-phenyl-1,3,4-thiadiazole;1-methyl-2,4,5-triphenylimidazole.

Molecular Properties

Compound Name2-(3,5-diphenylphenyl)-4-methyl-6-phenyl-1,3,5-triazine;1-methyl-2-phenylbenzimidazole;2-methyl-3-phenylimidazo[4,5-b]pyrazine;2-methyl-5-phenyl-1,3,4-oxadiazole;2-methyl-5-phenyl-1,3,4-thiadiazole;1-methyl-2,4,5-triphenylimidazole
PubChem CID159984606
Molecular FormulaC94H77N15OS
Molecular Weight1464.82 g/mol
Exact Mass1463.62
IUPAC Name2-(3,5-diphenylphenyl)-4-methyl-6-phenyl-1,3,5-triazine;1-methyl-2-phenylbenzimidazole;2-methyl-3-phenylimidazo[4,5-b]pyrazine;2-methyl-5-phenyl-1,3,4-oxadiazole;2-methyl-5-phenyl-1,3,4-thiadiazole;1-methyl-2,4,5-triphenylimidazole
SMILESCc1nc(-c2ccccc2)nc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)n1.Cc1nc2nccnc2n1-c1ccccc1.Cc1nnc(-c2ccccc2)o1.Cc1nnc(-c2ccccc2)s1.Cn1c(-c2ccccc2)nc(-c2ccccc2)c1-c1ccccc1.Cn1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C28H21N3.C22H18N2.C14H12N2.C12H10N4.C9H8N2O.C9H8N2S/c1-20-29-27(23-15-9-4-10-16-23)31-28(30-20)26-18-24(21-11-5-2-6-12-21)17-25(19-26)22-13-7-3-8-14-22;1-24-21(18-13-7-3-8-14-18)20(17-11-5-2-6-12-17)23-22(24)19-15-9-4-10-16-19;1-16-13-10-6-5-9-12(13)15-14(16)11-7-3-2-4-8-11;1-9-15-11-12(14-8-7-13-11)16(9)10-5-3-2-4-6-10;2*1-7-10-11-9(12-7)8-5-3-2-4-6-8/h2-19H,1H3;2-16H,1H3;2-10H,1H3;2-8H,1H3;2*2-6H,1H3
InChIKeyOGEDHIYSHZLKMS-UHFFFAOYSA-N
XLogP22.19
TPSA182.61 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds11
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001464.82
LogP ≤ 522.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 2-(3,5-diphenylphenyl)-4-methyl-6-phenyl-1,3,5-triazine;1-methyl-2-phenylbenzimidazole;2-methyl-3-phenylimidazo[4,5-b]pyrazine;2-methyl-5-phenyl-1,3,4-oxadiazole;2-methyl-5-phenyl-1,3,4-thiadiazole;1-methyl-2,4,5-triphenylimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diphenylphenyl)-4-methyl-6-phenyl-1,3,5-triazine;1-methyl-2-phenylbenzimidazole;2-methyl-3-phenylimidazo[4,5-b]pyrazine;2-methyl-5-phenyl-1,3,4-oxadiazole;2-methyl-5-phenyl-1,3,4-thiadiazole;1-methyl-2,4,5-triphenylimidazole?
The IUPAC name of 2-(3,5-diphenylphenyl)-4-methyl-6-phenyl-1,3,5-triazine;1-methyl-2-phenylbenzimidazole;2-methyl-3-phenylimidazo[4,5-b]pyrazine;2-methyl-5-phenyl-1,3,4-oxadiazole;2-methyl-5-phenyl-1,3,4-thiadiazole;1-methyl-2,4,5-triphenylimidazole (CID 159984606) is 2-(3,5-diphenylphenyl)-4-methyl-6-phenyl-1,3,5-triazine;1-methyl-2-phenylbenzimidazole;2-methyl-3-phenylimidazo[4,5-b]pyrazine;2-methyl-5-phenyl-1,3,4-oxadiazole;2-methyl-5-phenyl-1,3,4-thiadiazole;1-methyl-2,4,5-triphenylimidazole.
What is the SMILES notation for 2-(3,5-diphenylphenyl)-4-methyl-6-phenyl-1,3,5-triazine;1-methyl-2-phenylbenzimidazole;2-methyl-3-phenylimidazo[4,5-b]pyrazine;2-methyl-5-phenyl-1,3,4-oxadiazole;2-methyl-5-phenyl-1,3,4-thiadiazole;1-methyl-2,4,5-triphenylimidazole?
The canonical SMILES for 2-(3,5-diphenylphenyl)-4-methyl-6-phenyl-1,3,5-triazine;1-methyl-2-phenylbenzimidazole;2-methyl-3-phenylimidazo[4,5-b]pyrazine;2-methyl-5-phenyl-1,3,4-oxadiazole;2-methyl-5-phenyl-1,3,4-thiadiazole;1-methyl-2,4,5-triphenylimidazole is Cc1nc(-c2ccccc2)nc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)n1.Cc1nc2nccnc2n1-c1ccccc1.Cc1nnc(-c2ccccc2)o1.Cc1nnc(-c2ccccc2)s1.Cn1c(-c2ccccc2)nc(-c2ccccc2)c1-c1ccccc1.Cn1c(-c2ccccc2)nc2ccccc21.
What is the InChIKey of 2-(3,5-diphenylphenyl)-4-methyl-6-phenyl-1,3,5-triazine;1-methyl-2-phenylbenzimidazole;2-methyl-3-phenylimidazo[4,5-b]pyrazine;2-methyl-5-phenyl-1,3,4-oxadiazole;2-methyl-5-phenyl-1,3,4-thiadiazole;1-methyl-2,4,5-triphenylimidazole?
The InChIKey is OGEDHIYSHZLKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3.C22H18N2.C14H12N2.C12H10N4.C9H8N2O.C9H8N2S/c1-20-29-27(23-15-9-4-10-16-23)31-28(30-20)26-18-24(21-11-5-2-6-12-21)17-25(19-26)22-13-7-3-8-14-22;1-24-21(18-13-7-3-8-14-18)20(17-11-5-2-6-12-17)23-22(24)19-15-9-4-10-16-19;1-16-13-10-6-5-9-12(13)15-14(16)11-7-3-2-4-8-11;1-9-15-11-12(14-8-7-13-11)16(9)10-5-3-2-4-6-10;2*1-7-10-11-9(12-7)8-5-3-2-4-6-8/h2-19H,1H3;2-16H,1H3;2-10H,1H3;2-8H,1H3;2*2-6H,1H3.
What are the key properties of 2-(3,5-diphenylphenyl)-4-methyl-6-phenyl-1,3,5-triazine;1-methyl-2-phenylbenzimidazole;2-methyl-3-phenylimidazo[4,5-b]pyrazine;2-methyl-5-phenyl-1,3,4-oxadiazole;2-methyl-5-phenyl-1,3,4-thiadiazole;1-methyl-2,4,5-triphenylimidazole?
2-(3,5-diphenylphenyl)-4-methyl-6-phenyl-1,3,5-triazine;1-methyl-2-phenylbenzimidazole;2-methyl-3-phenylimidazo[4,5-b]pyrazine;2-methyl-5-phenyl-1,3,4-oxadiazole;2-methyl-5-phenyl-1,3,4-thiadiazole;1-methyl-2,4,5-triphenylimidazole has a molecular weight of 1464.82 g/mol, XLogP of 22.19, 11 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diphenylphenyl)-4-methyl-6-phenyl-1,3,5-triazine;1-methyl-2-phenylbenzimidazole;2-methyl-3-phenylimidazo[4,5-b]pyrazine;2-methyl-5-phenyl-1,3,4-oxadiazole;2-methyl-5-phenyl-1,3,4-thiadiazole;1-methyl-2,4,5-triphenylimidazole is sourced from PubChem (CID 159984606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).