zinc;2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]-3-[2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]indol-3-yl]indole;bis(2,2,2-trifluoroacetate)

C68H42F6N8O4Zn — CID 139128534

About zinc;2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]-3-[2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]indol-3-yl]indole;bis(2,2,2-trifluoroacetate)

zinc;2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]-3-[2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]indol-3-yl]indole;bis(2,2,2-trifluoroacetate) (PubChem CID 139128534) has the molecular formula C68H42F6N8O4Zn and a molecular weight of 1214.51 g/mol. Its IUPAC name is zinc;2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]-3-[2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]indol-3-yl]indole;bis(2,2,2-trifluoroacetate).

Molecular Properties

• Compound Name: zinc;2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]-3-[2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]indol-3-yl]indole;bis(2,2,2-trifluoroacetate)
• PubChem CID: 139128534
• Molecular Formula: C68H42F6N8O4Zn
• Molecular Weight: 1214.51 g/mol
• Exact Mass: 1212.25
• IUPAC Name: zinc;2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]-3-[2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]indol-3-yl]indole;bis(2,2,2-trifluoroacetate)
• SMILES: O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.[Zn+2].c1ccc(-c2cc3ccccc3n2-c2ccc(-n3c(-c4ccccn4)c(-c4c(-c5ccccn5)n(-c5ccc(-n6c(-c7ccccn7)cc7ccccc76)cc5)c5ccccc45)c4ccccc43)cc2)nc1
• InChI: InChI=1S/C64H42N8.2C2HF3O2.Zn/c1-5-25-55-43(17-1)41-59(51-21-9-13-37-65-51)69(55)45-29-33-47(34-30-45)71-57-27-7-3-19-49(57)61(63(71)53-23-11-15-39-67-53)62-50-20-4-8-28-58(50)72(64(62)54-24-12-16-40-68-54)48-35-31-46(32-36-48)70-56-26-6-2-18-44(56)42-60(70)52-22-10-14-38-66-52;2*3-2(4,5)1(6)7;/h1-42H;2*(H,6,7);/q;;;+2/p-2
• InChIKey: SZSMDDIUIJUQGX-UHFFFAOYSA-L
• XLogP: 13.97
• TPSA: 151.54 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1214.51
LogP ≤ 5	13.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of zinc;2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]-3-[2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]indol-3-yl]indole;bis(2,2,2-trifluoroacetate)?

The IUPAC name of zinc;2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]-3-[2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]indol-3-yl]indole;bis(2,2,2-trifluoroacetate) (CID 139128534) is zinc;2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]-3-[2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]indol-3-yl]indole;bis(2,2,2-trifluoroacetate).

What is the SMILES notation for zinc;2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]-3-[2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]indol-3-yl]indole;bis(2,2,2-trifluoroacetate)?

The canonical SMILES for zinc;2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]-3-[2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]indol-3-yl]indole;bis(2,2,2-trifluoroacetate) is O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.[Zn+2].c1ccc(-c2cc3ccccc3n2-c2ccc(-n3c(-c4ccccn4)c(-c4c(-c5ccccn5)n(-c5ccc(-n6c(-c7ccccn7)cc7ccccc76)cc5)c5ccccc45)c4ccccc43)cc2)nc1.

What is the InChIKey of zinc;2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]-3-[2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]indol-3-yl]indole;bis(2,2,2-trifluoroacetate)?

The InChIKey is SZSMDDIUIJUQGX-UHFFFAOYSA-L. The full InChI is InChI=1S/C64H42N8.2C2HF3O2.Zn/c1-5-25-55-43(17-1)41-59(51-21-9-13-37-65-51)69(55)45-29-33-47(34-30-45)71-57-27-7-3-19-49(57)61(63(71)53-23-11-15-39-67-53)62-50-20-4-8-28-58(50)72(64(62)54-24-12-16-40-68-54)48-35-31-46(32-36-48)70-56-26-6-2-18-44(56)42-60(70)52-22-10-14-38-66-52;2*3-2(4,5)1(6)7;/h1-42H;2*(H,6,7);/q;;;+2/p-2.

What are the key properties of zinc;2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]-3-[2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]indol-3-yl]indole;bis(2,2,2-trifluoroacetate)?

zinc;2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]-3-[2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]indol-3-yl]indole;bis(2,2,2-trifluoroacetate) has a molecular weight of 1214.51 g/mol, XLogP of 13.97, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for zinc;2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]-3-[2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]indol-3-yl]indole;bis(2,2,2-trifluoroacetate) is sourced from PubChem (CID 139128534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).