ethynylbenzene;tris(gold(3+));2-[3-[5-(4-phenylphenyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]benzene-2-id-1-yl]oxypyridine;2-[3-[4-(4-phenylphenyl)imidazol-1-id-2-yl]benzene-2-id-1-yl]oxypyridine;2-[3-[4-phenyl-3-(4-phenylphenyl)pyrazol-1-id-5-yl]benzene-2-id-1-yl]oxypyridine

C107H69Au3N10O3 — CID 157106848

About ethynylbenzene;tris(gold(3+));2-[3-[5-(4-phenylphenyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]benzene-2-id-1-yl]oxypyridine;2-[3-[4-(4-phenylphenyl)imidazol-1-id-2-yl]benzene-2-id-1-yl]oxypyridine;2-[3-[4-phenyl-3-(4-phenylphenyl)pyrazol-1-id-5-yl]benzene-2-id-1-yl]oxypyridine

ethynylbenzene;tris(gold(3+));2-[3-[5-(4-phenylphenyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]benzene-2-id-1-yl]oxypyridine;2-[3-[4-(4-phenylphenyl)imidazol-1-id-2-yl]benzene-2-id-1-yl]oxypyridine;2-[3-[4-phenyl-3-(4-phenylphenyl)pyrazol-1-id-5-yl]benzene-2-id-1-yl]oxypyridine (PubChem CID 157106848) has the molecular formula C107H69Au3N10O3 and a molecular weight of 2133.70 g/mol. Its IUPAC name is ethynylbenzene;tris(gold(3+));2-[3-[5-(4-phenylphenyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]benzene-2-id-1-yl]oxypyridine;2-[3-[4-(4-phenylphenyl)imidazol-1-id-2-yl]benzene-2-id-1-yl]oxypyridine;2-[3-[4-phenyl-3-(4-phenylphenyl)pyrazol-1-id-5-yl]benzene-2-id-1-yl]oxypyridine.

Molecular Properties

• Compound Name: ethynylbenzene;tris(gold(3+));2-[3-[5-(4-phenylphenyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]benzene-2-id-1-yl]oxypyridine;2-[3-[4-(4-phenylphenyl)imidazol-1-id-2-yl]benzene-2-id-1-yl]oxypyridine;2-[3-[4-phenyl-3-(4-phenylphenyl)pyrazol-1-id-5-yl]benzene-2-id-1-yl]oxypyridine
• PubChem CID: 157106848
• Molecular Formula: C107H69Au3N10O3
• Molecular Weight: 2133.70 g/mol
• Exact Mass: 2132.46
• IUPAC Name: ethynylbenzene;tris(gold(3+));2-[3-[5-(4-phenylphenyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]benzene-2-id-1-yl]oxypyridine;2-[3-[4-(4-phenylphenyl)imidazol-1-id-2-yl]benzene-2-id-1-yl]oxypyridine;2-[3-[4-phenyl-3-(4-phenylphenyl)pyrazol-1-id-5-yl]benzene-2-id-1-yl]oxypyridine
• SMILES: [Au+3].[Au+3].[Au+3].[C-]#Cc1ccccc1.[C-]#Cc1ccccc1.[C-]#Cc1ccccc1.[c-]1c(Oc2ccccn2)cccc1-c1[n-]nc(-c2ccc(-c3ccccc3)cc2)c1-c1ccccc1.[c-]1c(Oc2ccccn2)cccc1-c1nc(-c2ccc(-c3ccccc3)cc2)c[n-]1.[c-]1c(Oc2ccccn2)cccc1-c1nc(-c2ccc(-c3ccccc3)cc2)n[n-]1
• InChI: InChI=1S/C32H21N3O.C26H17N3O.C25H16N4O.3C8H5.3Au/c1-3-10-23(11-4-1)24-17-19-26(20-18-24)31-30(25-12-5-2-6-13-25)32(35-34-31)27-14-9-15-28(22-27)36-29-16-7-8-21-33-29;1-2-7-19(8-3-1)20-12-14-21(15-13-20)24-18-28-26(29-24)22-9-6-10-23(17-22)30-25-11-4-5-16-27-25;1-2-7-18(8-3-1)19-12-14-20(15-13-19)24-27-25(29-28-24)21-9-6-10-22(17-21)30-23-11-4-5-16-26-23;3*1-2-8-6-4-3-5-7-8;;;/h1-21H;1-16,18H;1-16H;3*3-7H;;;/q3*-2;3*-1;3*+3
• InChIKey: NRTIFMIUNDYVNQ-UHFFFAOYSA-N
• XLogP: 24.01
• TPSA: 160.22 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2133.70
LogP ≤ 5	24.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethynylbenzene;tris(gold(3+));2-[3-[5-(4-phenylphenyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]benzene-2-id-1-yl]oxypyridine;2-[3-[4-(4-phenylphenyl)imidazol-1-id-2-yl]benzene-2-id-1-yl]oxypyridine;2-[3-[4-phenyl-3-(4-phenylphenyl)pyrazol-1-id-5-yl]benzene-2-id-1-yl]oxypyridine?

The IUPAC name of ethynylbenzene;tris(gold(3+));2-[3-[5-(4-phenylphenyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]benzene-2-id-1-yl]oxypyridine;2-[3-[4-(4-phenylphenyl)imidazol-1-id-2-yl]benzene-2-id-1-yl]oxypyridine;2-[3-[4-phenyl-3-(4-phenylphenyl)pyrazol-1-id-5-yl]benzene-2-id-1-yl]oxypyridine (CID 157106848) is ethynylbenzene;tris(gold(3+));2-[3-[5-(4-phenylphenyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]benzene-2-id-1-yl]oxypyridine;2-[3-[4-(4-phenylphenyl)imidazol-1-id-2-yl]benzene-2-id-1-yl]oxypyridine;2-[3-[4-phenyl-3-(4-phenylphenyl)pyrazol-1-id-5-yl]benzene-2-id-1-yl]oxypyridine.

What is the SMILES notation for ethynylbenzene;tris(gold(3+));2-[3-[5-(4-phenylphenyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]benzene-2-id-1-yl]oxypyridine;2-[3-[4-(4-phenylphenyl)imidazol-1-id-2-yl]benzene-2-id-1-yl]oxypyridine;2-[3-[4-phenyl-3-(4-phenylphenyl)pyrazol-1-id-5-yl]benzene-2-id-1-yl]oxypyridine?

The canonical SMILES for ethynylbenzene;tris(gold(3+));2-[3-[5-(4-phenylphenyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]benzene-2-id-1-yl]oxypyridine;2-[3-[4-(4-phenylphenyl)imidazol-1-id-2-yl]benzene-2-id-1-yl]oxypyridine;2-[3-[4-phenyl-3-(4-phenylphenyl)pyrazol-1-id-5-yl]benzene-2-id-1-yl]oxypyridine is [Au+3].[Au+3].[Au+3].[C-]#Cc1ccccc1.[C-]#Cc1ccccc1.[C-]#Cc1ccccc1.[c-]1c(Oc2ccccn2)cccc1-c1[n-]nc(-c2ccc(-c3ccccc3)cc2)c1-c1ccccc1.[c-]1c(Oc2ccccn2)cccc1-c1nc(-c2ccc(-c3ccccc3)cc2)c[n-]1.[c-]1c(Oc2ccccn2)cccc1-c1nc(-c2ccc(-c3ccccc3)cc2)n[n-]1.

What is the InChIKey of ethynylbenzene;tris(gold(3+));2-[3-[5-(4-phenylphenyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]benzene-2-id-1-yl]oxypyridine;2-[3-[4-(4-phenylphenyl)imidazol-1-id-2-yl]benzene-2-id-1-yl]oxypyridine;2-[3-[4-phenyl-3-(4-phenylphenyl)pyrazol-1-id-5-yl]benzene-2-id-1-yl]oxypyridine?

The InChIKey is NRTIFMIUNDYVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21N3O.C26H17N3O.C25H16N4O.3C8H5.3Au/c1-3-10-23(11-4-1)24-17-19-26(20-18-24)31-30(25-12-5-2-6-13-25)32(35-34-31)27-14-9-15-28(22-27)36-29-16-7-8-21-33-29;1-2-7-19(8-3-1)20-12-14-21(15-13-20)24-18-28-26(29-24)22-9-6-10-23(17-22)30-25-11-4-5-16-27-25;1-2-7-18(8-3-1)19-12-14-20(15-13-19)24-27-25(29-28-24)21-9-6-10-22(17-21)30-23-11-4-5-16-26-23;3*1-2-8-6-4-3-5-7-8;;;/h1-21H;1-16,18H;1-16H;3*3-7H;;;/q3*-2;3*-1;3*+3.

What are the key properties of ethynylbenzene;tris(gold(3+));2-[3-[5-(4-phenylphenyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]benzene-2-id-1-yl]oxypyridine;2-[3-[4-(4-phenylphenyl)imidazol-1-id-2-yl]benzene-2-id-1-yl]oxypyridine;2-[3-[4-phenyl-3-(4-phenylphenyl)pyrazol-1-id-5-yl]benzene-2-id-1-yl]oxypyridine?

ethynylbenzene;tris(gold(3+));2-[3-[5-(4-phenylphenyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]benzene-2-id-1-yl]oxypyridine;2-[3-[4-(4-phenylphenyl)imidazol-1-id-2-yl]benzene-2-id-1-yl]oxypyridine;2-[3-[4-phenyl-3-(4-phenylphenyl)pyrazol-1-id-5-yl]benzene-2-id-1-yl]oxypyridine has a molecular weight of 2133.70 g/mol, XLogP of 24.01, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethynylbenzene;tris(gold(3+));2-[3-[5-(4-phenylphenyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]benzene-2-id-1-yl]oxypyridine;2-[3-[4-(4-phenylphenyl)imidazol-1-id-2-yl]benzene-2-id-1-yl]oxypyridine;2-[3-[4-phenyl-3-(4-phenylphenyl)pyrazol-1-id-5-yl]benzene-2-id-1-yl]oxypyridine is sourced from PubChem (CID 157106848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).