1,2-diphenylbenzimidazole;ethane;methane;6-methyl-2,3-diphenylquinoxaline;1-methyl-2-phenylbenzimidazole;2-methyl-1-phenylbenzimidazole;2-methyl-3-phenylphenanthro[9,10-d]imidazole;2-(4-methylphenyl)-1-phenylbenzimidazole;2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazole;2-(4-methylphenyl)-3-phenylphenanthro[9,10-d]imidazole;2-methyl-3-phenylquinoxaline

C174H152N18O — CID 158672320

IUPAC1,2-diphenylbenzimidazole;ethane;methane;6-methyl-2,3-diphenylquinoxaline;1-methyl-2-phenylbenzimidazole;2-methyl-1-phenylbenzimidazole;2-methyl-3-phenylphenanthro[9,10-d]imidazole;2-(4-methylphenyl)-1-phenylbenzimidazole;2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazole;2-(4-methylphenyl)-3-phenylphenanthro[9,10-d]imidazole;2-methyl-3-phenylquinoxaline
SMILESC.C.C.C.CC.Cc1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccccc2)cc1.Cc1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1.Cc1ccc(-c2nnc(-c3ccccc3)o2)cc1.Cc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1.Cc1nc2c3ccccc3c3ccccc3c2n1-c1ccccc1.Cc1nc2ccccc2n1-c1ccccc1.Cc1nc2ccccc2nc1-c1ccccc1.Cn1c(-c2ccccc2)nc2ccccc21.c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1
InChIInChI=1S/C28H20N2.C22H16N2.C21H16N2.C20H16N2.C19H14N2.C15H12N2O.C15H12N2.2C14H12N2.C2H6.4CH4/c1-19-15-17-20(18-16-19)28-29-26-24-13-7-5-11-22(24)23-12-6-8-14-25(23)27(26)30(28)21-9-3-2-4-10-21;1-15-23-21-19-13-7-5-11-17(19)18-12-6-8-14-20(18)22(21)24(15)16-9-3-2-4-10-16;1-15-12-13-18-19(14-15)23-21(17-10-6-3-7-11-17)20(22-18)16-8-4-2-5-9-16;1-15-11-13-16(14-12-15)20-21-18-9-5-6-10-19(18)22(20)17-7-3-2-4-8-17;1-3-9-15(10-4-1)19-20-17-13-7-8-14-18(17)21(19)16-11-5-2-6-12-16;1-11-7-9-13(10-8-11)15-17-16-14(18-15)12-5-3-2-4-6-12;1-11-15(12-7-3-2-4-8-12)17-14-10-6-5-9-13(14)16-11;1-16-13-10-6-5-9-12(13)15-14(16)11-7-3-2-4-8-11;1-11-15-13-9-5-6-10-14(13)16(11)12-7-3-2-4-8-12;1-2;;;;/h2-18H,1H3;2-14H,1H3;2-14H,1H3;2-14H,1H3;1-14H;2-10H,1H3;2-10H,1H3;2*2-10H,1H3;1-2H3;4*1H4
InChIKeyIECDFSMRQGVGAK-UHFFFAOYSA-N
MW2511.25 g/mol
LogP45.38
Rot. Bonds14

About 1,2-diphenylbenzimidazole;ethane;methane;6-methyl-2,3-diphenylquinoxaline;1-methyl-2-phenylbenzimidazole;2-methyl-1-phenylbenzimidazole;2-methyl-3-phenylphenanthro[9,10-d]imidazole;2-(4-methylphenyl)-1-phenylbenzimidazole;2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazole;2-(4-methylphenyl)-3-phenylphenanthro[9,10-d]imidazole;2-methyl-3-phenylquinoxaline

1,2-diphenylbenzimidazole;ethane;methane;6-methyl-2,3-diphenylquinoxaline;1-methyl-2-phenylbenzimidazole;2-methyl-1-phenylbenzimidazole;2-methyl-3-phenylphenanthro[9,10-d]imidazole;2-(4-methylphenyl)-1-phenylbenzimidazole;2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazole;2-(4-methylphenyl)-3-phenylphenanthro[9,10-d]imidazole;2-methyl-3-phenylquinoxaline (PubChem CID 158672320) has the molecular formula C174H152N18O and a molecular weight of 2511.25 g/mol. Its IUPAC name is 1,2-diphenylbenzimidazole;ethane;methane;6-methyl-2,3-diphenylquinoxaline;1-methyl-2-phenylbenzimidazole;2-methyl-1-phenylbenzimidazole;2-methyl-3-phenylphenanthro[9,10-d]imidazole;2-(4-methylphenyl)-1-phenylbenzimidazole;2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazole;2-(4-methylphenyl)-3-phenylphenanthro[9,10-d]imidazole;2-methyl-3-phenylquinoxaline.

Molecular Properties

Compound Name1,2-diphenylbenzimidazole;ethane;methane;6-methyl-2,3-diphenylquinoxaline;1-methyl-2-phenylbenzimidazole;2-methyl-1-phenylbenzimidazole;2-methyl-3-phenylphenanthro[9,10-d]imidazole;2-(4-methylphenyl)-1-phenylbenzimidazole;2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazole;2-(4-methylphenyl)-3-phenylphenanthro[9,10-d]imidazole;2-methyl-3-phenylquinoxaline
PubChem CID158672320
Molecular FormulaC174H152N18O
Molecular Weight2511.25 g/mol
Exact Mass2509.24
IUPAC Name1,2-diphenylbenzimidazole;ethane;methane;6-methyl-2,3-diphenylquinoxaline;1-methyl-2-phenylbenzimidazole;2-methyl-1-phenylbenzimidazole;2-methyl-3-phenylphenanthro[9,10-d]imidazole;2-(4-methylphenyl)-1-phenylbenzimidazole;2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazole;2-(4-methylphenyl)-3-phenylphenanthro[9,10-d]imidazole;2-methyl-3-phenylquinoxaline
SMILESC.C.C.C.CC.Cc1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccccc2)cc1.Cc1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1.Cc1ccc(-c2nnc(-c3ccccc3)o2)cc1.Cc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1.Cc1nc2c3ccccc3c3ccccc3c2n1-c1ccccc1.Cc1nc2ccccc2n1-c1ccccc1.Cc1nc2ccccc2nc1-c1ccccc1.Cn1c(-c2ccccc2)nc2ccccc21.c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1
InChIInChI=1S/C28H20N2.C22H16N2.C21H16N2.C20H16N2.C19H14N2.C15H12N2O.C15H12N2.2C14H12N2.C2H6.4CH4/c1-19-15-17-20(18-16-19)28-29-26-24-13-7-5-11-22(24)23-12-6-8-14-25(23)27(26)30(28)21-9-3-2-4-10-21;1-15-23-21-19-13-7-5-11-17(19)18-12-6-8-14-20(18)22(21)24(15)16-9-3-2-4-10-16;1-15-12-13-18-19(14-15)23-21(17-10-6-3-7-11-17)20(22-18)16-8-4-2-5-9-16;1-15-11-13-16(14-12-15)20-21-18-9-5-6-10-19(18)22(20)17-7-3-2-4-8-17;1-3-9-15(10-4-1)19-20-17-13-7-8-14-18(17)21(19)16-11-5-2-6-12-16;1-11-7-9-13(10-8-11)15-17-16-14(18-15)12-5-3-2-4-6-12;1-11-15(12-7-3-2-4-8-12)17-14-10-6-5-9-13(14)16-11;1-16-13-10-6-5-9-12(13)15-14(16)11-7-3-2-4-8-11;1-11-15-13-9-5-6-10-14(13)16(11)12-7-3-2-4-8-12;1-2;;;;/h2-18H,1H3;2-14H,1H3;2-14H,1H3;2-14H,1H3;1-14H;2-10H,1H3;2-10H,1H3;2*2-10H,1H3;1-2H3;4*1H4
InChIKeyIECDFSMRQGVGAK-UHFFFAOYSA-N
XLogP45.38
TPSA197.40 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds14
Heavy Atoms193
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002511.25
LogP ≤ 545.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 1,2-diphenylbenzimidazole;ethane;methane;6-methyl-2,3-diphenylquinoxaline;1-methyl-2-phenylbenzimidazole;2-methyl-1-phenylbenzimidazole;2-methyl-3-phenylphenanthro[9,10-d]imidazole;2-(4-methylphenyl)-1-phenylbenzimidazole;2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazole;2-(4-methylphenyl)-3-phenylphenanthro[9,10-d]imidazole;2-methyl-3-phenylquinoxaline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,2-diphenylbenzimidazole;ethane;methane;6-methyl-2,3-diphenylquinoxaline;1-methyl-2-phenylbenzimidazole;2-methyl-1-phenylbenzimidazole;2-methyl-3-phenylphenanthro[9,10-d]imidazole;2-(4-methylphenyl)-1-phenylbenzimidazole;2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazole;2-(4-methylphenyl)-3-phenylphenanthro[9,10-d]imidazole;2-methyl-3-phenylquinoxaline?
The IUPAC name of 1,2-diphenylbenzimidazole;ethane;methane;6-methyl-2,3-diphenylquinoxaline;1-methyl-2-phenylbenzimidazole;2-methyl-1-phenylbenzimidazole;2-methyl-3-phenylphenanthro[9,10-d]imidazole;2-(4-methylphenyl)-1-phenylbenzimidazole;2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazole;2-(4-methylphenyl)-3-phenylphenanthro[9,10-d]imidazole;2-methyl-3-phenylquinoxaline (CID 158672320) is 1,2-diphenylbenzimidazole;ethane;methane;6-methyl-2,3-diphenylquinoxaline;1-methyl-2-phenylbenzimidazole;2-methyl-1-phenylbenzimidazole;2-methyl-3-phenylphenanthro[9,10-d]imidazole;2-(4-methylphenyl)-1-phenylbenzimidazole;2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazole;2-(4-methylphenyl)-3-phenylphenanthro[9,10-d]imidazole;2-methyl-3-phenylquinoxaline.
What is the SMILES notation for 1,2-diphenylbenzimidazole;ethane;methane;6-methyl-2,3-diphenylquinoxaline;1-methyl-2-phenylbenzimidazole;2-methyl-1-phenylbenzimidazole;2-methyl-3-phenylphenanthro[9,10-d]imidazole;2-(4-methylphenyl)-1-phenylbenzimidazole;2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazole;2-(4-methylphenyl)-3-phenylphenanthro[9,10-d]imidazole;2-methyl-3-phenylquinoxaline?
The canonical SMILES for 1,2-diphenylbenzimidazole;ethane;methane;6-methyl-2,3-diphenylquinoxaline;1-methyl-2-phenylbenzimidazole;2-methyl-1-phenylbenzimidazole;2-methyl-3-phenylphenanthro[9,10-d]imidazole;2-(4-methylphenyl)-1-phenylbenzimidazole;2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazole;2-(4-methylphenyl)-3-phenylphenanthro[9,10-d]imidazole;2-methyl-3-phenylquinoxaline is C.C.C.C.CC.Cc1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccccc2)cc1.Cc1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1.Cc1ccc(-c2nnc(-c3ccccc3)o2)cc1.Cc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1.Cc1nc2c3ccccc3c3ccccc3c2n1-c1ccccc1.Cc1nc2ccccc2n1-c1ccccc1.Cc1nc2ccccc2nc1-c1ccccc1.Cn1c(-c2ccccc2)nc2ccccc21.c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1.
What is the InChIKey of 1,2-diphenylbenzimidazole;ethane;methane;6-methyl-2,3-diphenylquinoxaline;1-methyl-2-phenylbenzimidazole;2-methyl-1-phenylbenzimidazole;2-methyl-3-phenylphenanthro[9,10-d]imidazole;2-(4-methylphenyl)-1-phenylbenzimidazole;2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazole;2-(4-methylphenyl)-3-phenylphenanthro[9,10-d]imidazole;2-methyl-3-phenylquinoxaline?
The InChIKey is IECDFSMRQGVGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2.C22H16N2.C21H16N2.C20H16N2.C19H14N2.C15H12N2O.C15H12N2.2C14H12N2.C2H6.4CH4/c1-19-15-17-20(18-16-19)28-29-26-24-13-7-5-11-22(24)23-12-6-8-14-25(23)27(26)30(28)21-9-3-2-4-10-21;1-15-23-21-19-13-7-5-11-17(19)18-12-6-8-14-20(18)22(21)24(15)16-9-3-2-4-10-16;1-15-12-13-18-19(14-15)23-21(17-10-6-3-7-11-17)20(22-18)16-8-4-2-5-9-16;1-15-11-13-16(14-12-15)20-21-18-9-5-6-10-19(18)22(20)17-7-3-2-4-8-17;1-3-9-15(10-4-1)19-20-17-13-7-8-14-18(17)21(19)16-11-5-2-6-12-16;1-11-7-9-13(10-8-11)15-17-16-14(18-15)12-5-3-2-4-6-12;1-11-15(12-7-3-2-4-8-12)17-14-10-6-5-9-13(14)16-11;1-16-13-10-6-5-9-12(13)15-14(16)11-7-3-2-4-8-11;1-11-15-13-9-5-6-10-14(13)16(11)12-7-3-2-4-8-12;1-2;;;;/h2-18H,1H3;2-14H,1H3;2-14H,1H3;2-14H,1H3;1-14H;2-10H,1H3;2-10H,1H3;2*2-10H,1H3;1-2H3;4*1H4.
What are the key properties of 1,2-diphenylbenzimidazole;ethane;methane;6-methyl-2,3-diphenylquinoxaline;1-methyl-2-phenylbenzimidazole;2-methyl-1-phenylbenzimidazole;2-methyl-3-phenylphenanthro[9,10-d]imidazole;2-(4-methylphenyl)-1-phenylbenzimidazole;2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazole;2-(4-methylphenyl)-3-phenylphenanthro[9,10-d]imidazole;2-methyl-3-phenylquinoxaline?
1,2-diphenylbenzimidazole;ethane;methane;6-methyl-2,3-diphenylquinoxaline;1-methyl-2-phenylbenzimidazole;2-methyl-1-phenylbenzimidazole;2-methyl-3-phenylphenanthro[9,10-d]imidazole;2-(4-methylphenyl)-1-phenylbenzimidazole;2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazole;2-(4-methylphenyl)-3-phenylphenanthro[9,10-d]imidazole;2-methyl-3-phenylquinoxaline has a molecular weight of 2511.25 g/mol, XLogP of 45.38, 14 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenylbenzimidazole;ethane;methane;6-methyl-2,3-diphenylquinoxaline;1-methyl-2-phenylbenzimidazole;2-methyl-1-phenylbenzimidazole;2-methyl-3-phenylphenanthro[9,10-d]imidazole;2-(4-methylphenyl)-1-phenylbenzimidazole;2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazole;2-(4-methylphenyl)-3-phenylphenanthro[9,10-d]imidazole;2-methyl-3-phenylquinoxaline is sourced from PubChem (CID 158672320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).