2-[3-[3-[2,6-bis(3,5-difluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

C64H51F4N4OPt-3 — CID 172530867

About 2-[3-[3-[2,6-bis(3,5-difluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

2-[3-[3-[2,6-bis(3,5-difluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 172530867) has the molecular formula C64H51F4N4OPt-3 and a molecular weight of 1163.21 g/mol. Its IUPAC name is 2-[3-[3-[2,6-bis(3,5-difluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[2,6-bis(3,5-difluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 172530867
• Molecular Formula: C64H51F4N4OPt-3
• Molecular Weight: 1163.21 g/mol
• Exact Mass: 1162.37
• IUPAC Name: 2-[3-[3-[2,6-bis(3,5-difluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: CC(C)c1cccc(C(C)C)c1-c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2[CH-]N(c3c(-c4cc(F)cc(F)c4)cccc3-c3cc(F)cc(F)c3)c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C64H51F4N4O.Pt/c1-38(2)51-15-12-16-52(39(3)4)62(51)42-30-48(35-50(31-42)73-49-22-23-56-55-14-8-9-19-57(55)72(60(56)36-49)61-32-43(24-25-69-61)64(5,6)7)70-37-71(59-21-11-10-20-58(59)70)63-53(40-26-44(65)33-45(66)27-40)17-13-18-54(63)41-28-46(67)34-47(68)29-41;/h8-34,37-39H,1-7H3;/q-3
• InChIKey: SBJHZOYMXJMKIX-UHFFFAOYSA-N
• XLogP: 18.08
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1163.21
LogP ≤ 5	18.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[2,6-bis(3,5-difluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-[2,6-bis(3,5-difluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 172530867) is 2-[3-[3-[2,6-bis(3,5-difluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-[3-[2,6-bis(3,5-difluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[3-[2,6-bis(3,5-difluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is CC(C)c1cccc(C(C)C)c1-c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2[CH-]N(c3c(-c4cc(F)cc(F)c4)cccc3-c3cc(F)cc(F)c3)c3ccccc32)c1.[Pt].

What is the InChIKey of 2-[3-[3-[2,6-bis(3,5-difluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The InChIKey is SBJHZOYMXJMKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H51F4N4O.Pt/c1-38(2)51-15-12-16-52(39(3)4)62(51)42-30-48(35-50(31-42)73-49-22-23-56-55-14-8-9-19-57(55)72(60(56)36-49)61-32-43(24-25-69-61)64(5,6)7)70-37-71(59-21-11-10-20-58(59)70)63-53(40-26-44(65)33-45(66)27-40)17-13-18-54(63)41-28-46(67)34-47(68)29-41;/h8-34,37-39H,1-7H3;/q-3;.

What are the key properties of 2-[3-[3-[2,6-bis(3,5-difluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

2-[3-[3-[2,6-bis(3,5-difluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 1163.21 g/mol, XLogP of 18.08, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[2,6-bis(3,5-difluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 172530867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).