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

C69H63F2N4OPt-3 — CID 172533818

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

2-[3-[3-[4-(2,4-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-propan-2-yl-2H-benzimidazol-2-id-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (PubChem CID 172533818) has the molecular formula C69H63F2N4OPt-3 and a molecular weight of 1197.36 g/mol. Its IUPAC name is 2-[3-[3-[4-(2,4-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-propan-2-yl-2H-benzimidazol-2-id-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[4-(2,4-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-propan-2-yl-2H-benzimidazol-2-id-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
• PubChem CID: 172533818
• Molecular Formula: C69H63F2N4OPt-3
• Molecular Weight: 1197.36 g/mol
• Exact Mass: 1196.46
• IUPAC Name: 2-[3-[3-[4-(2,4-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-propan-2-yl-2H-benzimidazol-2-id-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
• SMILES: CC(C)c1ccc2c(c1)N(c1c(C(C)C)cc(-c3ccc(F)cc3F)cc1C(C)C)[CH-]N2c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cc(-c2c(C(C)C)cc(-c3ccccc3)cc2C(C)C)c1.[Pt]
• InChI: InChI=1S/C69H63F2N4O.Pt/c1-41(2)47-23-28-64-66(36-47)74(69-60(44(7)8)34-49(35-61(69)45(9)10)55-26-24-51(70)37-62(55)71)40-73(64)52-30-50(68-58(42(3)4)32-48(33-59(68)43(5)6)46-18-12-11-13-19-46)31-54(38-52)76-53-25-27-57-56-20-14-15-21-63(56)75(65(57)39-53)67-22-16-17-29-72-67;/h11-37,40-45H,1-10H3;/q-3
• InChIKey: KVRYOEMBRBXOCE-UHFFFAOYSA-N
• XLogP: 19.87
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1197.36
LogP ≤ 5	19.87
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-[4-(2,4-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-propan-2-yl-2H-benzimidazol-2-id-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-[4-(2,4-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-propan-2-yl-2H-benzimidazol-2-id-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (CID 172533818) is 2-[3-[3-[4-(2,4-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-propan-2-yl-2H-benzimidazol-2-id-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-[3-[4-(2,4-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-propan-2-yl-2H-benzimidazol-2-id-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is CC(C)c1ccc2c(c1)N(c1c(C(C)C)cc(-c3ccc(F)cc3F)cc1C(C)C)[CH-]N2c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cc(-c2c(C(C)C)cc(-c3ccccc3)cc2C(C)C)c1.[Pt].

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

The InChIKey is KVRYOEMBRBXOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H63F2N4O.Pt/c1-41(2)47-23-28-64-66(36-47)74(69-60(44(7)8)34-49(35-61(69)45(9)10)55-26-24-51(70)37-62(55)71)40-73(64)52-30-50(68-58(42(3)4)32-48(33-59(68)43(5)6)46-18-12-11-13-19-46)31-54(38-52)76-53-25-27-57-56-20-14-15-21-63(56)75(65(57)39-53)67-22-16-17-29-72-67;/h11-37,40-45H,1-10H3;/q-3;.

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

2-[3-[3-[4-(2,4-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-propan-2-yl-2H-benzimidazol-2-id-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum has a molecular weight of 1197.36 g/mol, XLogP of 19.87, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[4-(2,4-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-propan-2-yl-2H-benzimidazol-2-id-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 172533818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).