hexakis(carbon dioxide);5-cyclopenta-1,4-dien-1-yl-1-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;3-[3-(1,2-diphenylimidazol-4-yl)phenyl]benzoic acid;3-[3-(2-fluorophenyl)phenyl]-5-methyl-1-phenyl-1,2,4-triazole;methane;1-(4-methoxyphenyl)-5-methyl-3-(3-phenylphenyl)-1,2,4-triazole;1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;2-methyl-5-[2-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-3-yl]pyridine;1-naphthalen-1-yl-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole

C186H140FN21O15 — CID 158580209

About hexakis(carbon dioxide);5-cyclopenta-1,4-dien-1-yl-1-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;3-[3-(1,2-diphenylimidazol-4-yl)phenyl]benzoic acid;3-[3-(2-fluorophenyl)phenyl]-5-methyl-1-phenyl-1,2,4-triazole;methane;1-(4-methoxyphenyl)-5-methyl-3-(3-phenylphenyl)-1,2,4-triazole;1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;2-methyl-5-[2-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-3-yl]pyridine;1-naphthalen-1-yl-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole

hexakis(carbon dioxide);5-cyclopenta-1,4-dien-1-yl-1-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;3-[3-(1,2-diphenylimidazol-4-yl)phenyl]benzoic acid;3-[3-(2-fluorophenyl)phenyl]-5-methyl-1-phenyl-1,2,4-triazole;methane;1-(4-methoxyphenyl)-5-methyl-3-(3-phenylphenyl)-1,2,4-triazole;1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;2-methyl-5-[2-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-3-yl]pyridine;1-naphthalen-1-yl-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole (PubChem CID 158580209) has the molecular formula C186H140FN21O15 and a molecular weight of 2928.30 g/mol. Its IUPAC name is hexakis(carbon dioxide);5-cyclopenta-1,4-dien-1-yl-1-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;3-[3-(1,2-diphenylimidazol-4-yl)phenyl]benzoic acid;3-[3-(2-fluorophenyl)phenyl]-5-methyl-1-phenyl-1,2,4-triazole;methane;1-(4-methoxyphenyl)-5-methyl-3-(3-phenylphenyl)-1,2,4-triazole;1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;2-methyl-5-[2-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-3-yl]pyridine;1-naphthalen-1-yl-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole.

Molecular Properties

• Compound Name: hexakis(carbon dioxide);5-cyclopenta-1,4-dien-1-yl-1-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;3-[3-(1,2-diphenylimidazol-4-yl)phenyl]benzoic acid;3-[3-(2-fluorophenyl)phenyl]-5-methyl-1-phenyl-1,2,4-triazole;methane;1-(4-methoxyphenyl)-5-methyl-3-(3-phenylphenyl)-1,2,4-triazole;1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;2-methyl-5-[2-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-3-yl]pyridine;1-naphthalen-1-yl-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole
• PubChem CID: 158580209
• Molecular Formula: C186H140FN21O15
• Molecular Weight: 2928.30 g/mol
• Exact Mass: 2926.08
• IUPAC Name: hexakis(carbon dioxide);5-cyclopenta-1,4-dien-1-yl-1-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;3-[3-(1,2-diphenylimidazol-4-yl)phenyl]benzoic acid;3-[3-(2-fluorophenyl)phenyl]-5-methyl-1-phenyl-1,2,4-triazole;methane;1-(4-methoxyphenyl)-5-methyl-3-(3-phenylphenyl)-1,2,4-triazole;1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;2-methyl-5-[2-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-3-yl]pyridine;1-naphthalen-1-yl-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole
• SMILES: C.C1=CC(c2nc(-c3cccc(-c4ccccc4)c3)nn2-c2ccccc2)=CC1.COc1ccc(-n2nc(-c3cccc(-c4ccccc4)c3)nc2C)cc1.Cc1ccc(-c2nc(-c3cccc(-c4ccccc4)c3)nn2-c2ccccc2)cn1.Cc1cccc(-n2nc(-c3cccc(-c4ccccc4)c3)nc2-c2ccccc2)c1.Cc1nc(-c2cccc(-c3ccccc3F)c2)nn1-c1ccccc1.O=C(O)c1cccc(-c2cccc(-c3cn(-c4ccccc4)c(-c4ccccc4)n3)c2)c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.c1ccc(-c2cccc(-c3nc(-c4ccccc4)n(-c4cccc5ccccc45)n3)c2)cc1
• InChI: InChI=1S/C30H21N3.C28H20N2O2.C27H21N3.C26H20N4.C25H19N3.C22H19N3O.C21H16FN3.6CO2.CH4/c1-3-11-22(12-4-1)25-17-9-18-26(21-25)29-31-30(24-14-5-2-6-15-24)33(32-29)28-20-10-16-23-13-7-8-19-27(23)28;31-28(32)24-14-8-12-22(18-24)21-11-7-13-23(17-21)26-19-30(25-15-5-2-6-16-25)27(29-26)20-9-3-1-4-10-20;1-20-10-8-17-25(18-20)30-27(22-13-6-3-7-14-22)28-26(29-30)24-16-9-15-23(19-24)21-11-4-2-5-12-21;1-19-15-16-23(18-27-19)26-28-25(29-30(26)24-13-6-3-7-14-24)22-12-8-11-21(17-22)20-9-4-2-5-10-20;1-3-10-19(11-4-1)21-14-9-15-22(18-21)24-26-25(20-12-7-8-13-20)28(27-24)23-16-5-2-6-17-23;1-16-23-22(24-25(16)20-11-13-21(26-2)14-12-20)19-10-6-9-18(15-19)17-7-4-3-5-8-17;1-15-23-21(24-25(15)18-10-3-2-4-11-18)17-9-7-8-16(14-17)19-12-5-6-13-20(19)22;6*2-1-3;/h1-21H;1-19H,(H,31,32);2-19H,1H3;2-18H,1H3;1-7,9-18H,8H2;3-15H,1-2H3;2-14H,1H3;;;;;;;1H4
• InChIKey: HTDURCGXEKKMND-UHFFFAOYSA-N
• XLogP: 39.59
• TPSA: 466.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 35
• Rotatable Bonds: 28
• Heavy Atoms: 223
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2928.30
LogP ≤ 5	39.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of hexakis(carbon dioxide);5-cyclopenta-1,4-dien-1-yl-1-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;3-[3-(1,2-diphenylimidazol-4-yl)phenyl]benzoic acid;3-[3-(2-fluorophenyl)phenyl]-5-methyl-1-phenyl-1,2,4-triazole;methane;1-(4-methoxyphenyl)-5-methyl-3-(3-phenylphenyl)-1,2,4-triazole;1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;2-methyl-5-[2-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-3-yl]pyridine;1-naphthalen-1-yl-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole?

The IUPAC name of hexakis(carbon dioxide);5-cyclopenta-1,4-dien-1-yl-1-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;3-[3-(1,2-diphenylimidazol-4-yl)phenyl]benzoic acid;3-[3-(2-fluorophenyl)phenyl]-5-methyl-1-phenyl-1,2,4-triazole;methane;1-(4-methoxyphenyl)-5-methyl-3-(3-phenylphenyl)-1,2,4-triazole;1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;2-methyl-5-[2-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-3-yl]pyridine;1-naphthalen-1-yl-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole (CID 158580209) is hexakis(carbon dioxide);5-cyclopenta-1,4-dien-1-yl-1-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;3-[3-(1,2-diphenylimidazol-4-yl)phenyl]benzoic acid;3-[3-(2-fluorophenyl)phenyl]-5-methyl-1-phenyl-1,2,4-triazole;methane;1-(4-methoxyphenyl)-5-methyl-3-(3-phenylphenyl)-1,2,4-triazole;1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;2-methyl-5-[2-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-3-yl]pyridine;1-naphthalen-1-yl-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole.

What is the SMILES notation for hexakis(carbon dioxide);5-cyclopenta-1,4-dien-1-yl-1-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;3-[3-(1,2-diphenylimidazol-4-yl)phenyl]benzoic acid;3-[3-(2-fluorophenyl)phenyl]-5-methyl-1-phenyl-1,2,4-triazole;methane;1-(4-methoxyphenyl)-5-methyl-3-(3-phenylphenyl)-1,2,4-triazole;1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;2-methyl-5-[2-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-3-yl]pyridine;1-naphthalen-1-yl-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole?

The canonical SMILES for hexakis(carbon dioxide);5-cyclopenta-1,4-dien-1-yl-1-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;3-[3-(1,2-diphenylimidazol-4-yl)phenyl]benzoic acid;3-[3-(2-fluorophenyl)phenyl]-5-methyl-1-phenyl-1,2,4-triazole;methane;1-(4-methoxyphenyl)-5-methyl-3-(3-phenylphenyl)-1,2,4-triazole;1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;2-methyl-5-[2-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-3-yl]pyridine;1-naphthalen-1-yl-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole is C.C1=CC(c2nc(-c3cccc(-c4ccccc4)c3)nn2-c2ccccc2)=CC1.COc1ccc(-n2nc(-c3cccc(-c4ccccc4)c3)nc2C)cc1.Cc1ccc(-c2nc(-c3cccc(-c4ccccc4)c3)nn2-c2ccccc2)cn1.Cc1cccc(-n2nc(-c3cccc(-c4ccccc4)c3)nc2-c2ccccc2)c1.Cc1nc(-c2cccc(-c3ccccc3F)c2)nn1-c1ccccc1.O=C(O)c1cccc(-c2cccc(-c3cn(-c4ccccc4)c(-c4ccccc4)n3)c2)c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.c1ccc(-c2cccc(-c3nc(-c4ccccc4)n(-c4cccc5ccccc45)n3)c2)cc1.

What is the InChIKey of hexakis(carbon dioxide);5-cyclopenta-1,4-dien-1-yl-1-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;3-[3-(1,2-diphenylimidazol-4-yl)phenyl]benzoic acid;3-[3-(2-fluorophenyl)phenyl]-5-methyl-1-phenyl-1,2,4-triazole;methane;1-(4-methoxyphenyl)-5-methyl-3-(3-phenylphenyl)-1,2,4-triazole;1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;2-methyl-5-[2-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-3-yl]pyridine;1-naphthalen-1-yl-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole?

The InChIKey is HTDURCGXEKKMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N3.C28H20N2O2.C27H21N3.C26H20N4.C25H19N3.C22H19N3O.C21H16FN3.6CO2.CH4/c1-3-11-22(12-4-1)25-17-9-18-26(21-25)29-31-30(24-14-5-2-6-15-24)33(32-29)28-20-10-16-23-13-7-8-19-27(23)28;31-28(32)24-14-8-12-22(18-24)21-11-7-13-23(17-21)26-19-30(25-15-5-2-6-16-25)27(29-26)20-9-3-1-4-10-20;1-20-10-8-17-25(18-20)30-27(22-13-6-3-7-14-22)28-26(29-30)24-16-9-15-23(19-24)21-11-4-2-5-12-21;1-19-15-16-23(18-27-19)26-28-25(29-30(26)24-13-6-3-7-14-24)22-12-8-11-21(17-22)20-9-4-2-5-10-20;1-3-10-19(11-4-1)21-14-9-15-22(18-21)24-26-25(20-12-7-8-13-20)28(27-24)23-16-5-2-6-17-23;1-16-23-22(24-25(16)20-11-13-21(26-2)14-12-20)19-10-6-9-18(15-19)17-7-4-3-5-8-17;1-15-23-21(24-25(15)18-10-3-2-4-11-18)17-9-7-8-16(14-17)19-12-5-6-13-20(19)22;6*2-1-3;/h1-21H;1-19H,(H,31,32);2-19H,1H3;2-18H,1H3;1-7,9-18H,8H2;3-15H,1-2H3;2-14H,1H3;;;;;;;1H4.

What are the key properties of hexakis(carbon dioxide);5-cyclopenta-1,4-dien-1-yl-1-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;3-[3-(1,2-diphenylimidazol-4-yl)phenyl]benzoic acid;3-[3-(2-fluorophenyl)phenyl]-5-methyl-1-phenyl-1,2,4-triazole;methane;1-(4-methoxyphenyl)-5-methyl-3-(3-phenylphenyl)-1,2,4-triazole;1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;2-methyl-5-[2-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-3-yl]pyridine;1-naphthalen-1-yl-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole?

hexakis(carbon dioxide);5-cyclopenta-1,4-dien-1-yl-1-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;3-[3-(1,2-diphenylimidazol-4-yl)phenyl]benzoic acid;3-[3-(2-fluorophenyl)phenyl]-5-methyl-1-phenyl-1,2,4-triazole;methane;1-(4-methoxyphenyl)-5-methyl-3-(3-phenylphenyl)-1,2,4-triazole;1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;2-methyl-5-[2-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-3-yl]pyridine;1-naphthalen-1-yl-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole has a molecular weight of 2928.30 g/mol, XLogP of 39.59, 28 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for hexakis(carbon dioxide);5-cyclopenta-1,4-dien-1-yl-1-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;3-[3-(1,2-diphenylimidazol-4-yl)phenyl]benzoic acid;3-[3-(2-fluorophenyl)phenyl]-5-methyl-1-phenyl-1,2,4-triazole;methane;1-(4-methoxyphenyl)-5-methyl-3-(3-phenylphenyl)-1,2,4-triazole;1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;2-methyl-5-[2-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-3-yl]pyridine;1-naphthalen-1-yl-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole is sourced from PubChem (CID 158580209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).