2,4-ditert-butyl-6-[6-[3-(N-[4-[2-(4-fluorophenyl)propan-2-yl]-2-pyridinyl]anilino)-5-phenylbenzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum

C57H53FN3OPt- — CID 164742670

About 2,4-ditert-butyl-6-[6-[3-(N-[4-[2-(4-fluorophenyl)propan-2-yl]-2-pyridinyl]anilino)-5-phenylbenzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum

2,4-ditert-butyl-6-[6-[3-(N-[4-[2-(4-fluorophenyl)propan-2-yl]-2-pyridinyl]anilino)-5-phenylbenzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum (PubChem CID 164742670) has the molecular formula C57H53FN3OPt- and a molecular weight of 1010.15 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[6-[3-(N-[4-[2-(4-fluorophenyl)propan-2-yl]-2-pyridinyl]anilino)-5-phenylbenzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[6-[3-(N-[4-[2-(4-fluorophenyl)propan-2-yl]-2-pyridinyl]anilino)-5-phenylbenzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum
• PubChem CID: 164742670
• Molecular Formula: C57H53FN3OPt-
• Molecular Weight: 1010.15 g/mol
• Exact Mass: 1009.38
• IUPAC Name: 2,4-ditert-butyl-6-[6-[3-(N-[4-[2-(4-fluorophenyl)propan-2-yl]-2-pyridinyl]anilino)-5-phenylbenzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum
• SMILES: CC(C)(C)c1cc(-c2cc(-c3ccccc3)cc(-c3[c-]c(N(c4ccccc4)c4cc(C(C)(C)c5ccc(F)cc5)ccn4)cc(-c4ccccc4)c3)n2)c(O)c(C(C)(C)C)c1.[Pt]
• InChI: InChI=1S/C57H53FN3O.Pt/c1-55(2,3)45-35-49(54(62)50(36-45)56(4,5)6)52-34-41(39-20-14-10-15-21-39)33-51(60-52)42-30-40(38-18-12-9-13-19-38)31-48(32-42)61(47-22-16-11-17-23-47)53-37-44(28-29-59-53)57(7,8)43-24-26-46(58)27-25-43;/h9-31,33-37,62H,1-8H3;/q-1
• InChIKey: GCDRYOFFUVWPFT-UHFFFAOYSA-N
• XLogP: 15.18
• TPSA: 49.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1010.15
LogP ≤ 5	15.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[6-[3-(N-[4-[2-(4-fluorophenyl)propan-2-yl]-2-pyridinyl]anilino)-5-phenylbenzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum?

The IUPAC name of 2,4-ditert-butyl-6-[6-[3-(N-[4-[2-(4-fluorophenyl)propan-2-yl]-2-pyridinyl]anilino)-5-phenylbenzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum (CID 164742670) is 2,4-ditert-butyl-6-[6-[3-(N-[4-[2-(4-fluorophenyl)propan-2-yl]-2-pyridinyl]anilino)-5-phenylbenzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum.

What is the SMILES notation for 2,4-ditert-butyl-6-[6-[3-(N-[4-[2-(4-fluorophenyl)propan-2-yl]-2-pyridinyl]anilino)-5-phenylbenzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum?

The canonical SMILES for 2,4-ditert-butyl-6-[6-[3-(N-[4-[2-(4-fluorophenyl)propan-2-yl]-2-pyridinyl]anilino)-5-phenylbenzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum is CC(C)(C)c1cc(-c2cc(-c3ccccc3)cc(-c3[c-]c(N(c4ccccc4)c4cc(C(C)(C)c5ccc(F)cc5)ccn4)cc(-c4ccccc4)c3)n2)c(O)c(C(C)(C)C)c1.[Pt].

What is the InChIKey of 2,4-ditert-butyl-6-[6-[3-(N-[4-[2-(4-fluorophenyl)propan-2-yl]-2-pyridinyl]anilino)-5-phenylbenzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum?

The InChIKey is GCDRYOFFUVWPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H53FN3O.Pt/c1-55(2,3)45-35-49(54(62)50(36-45)56(4,5)6)52-34-41(39-20-14-10-15-21-39)33-51(60-52)42-30-40(38-18-12-9-13-19-38)31-48(32-42)61(47-22-16-11-17-23-47)53-37-44(28-29-59-53)57(7,8)43-24-26-46(58)27-25-43;/h9-31,33-37,62H,1-8H3;/q-1;.

What are the key properties of 2,4-ditert-butyl-6-[6-[3-(N-[4-[2-(4-fluorophenyl)propan-2-yl]-2-pyridinyl]anilino)-5-phenylbenzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum?

2,4-ditert-butyl-6-[6-[3-(N-[4-[2-(4-fluorophenyl)propan-2-yl]-2-pyridinyl]anilino)-5-phenylbenzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum has a molecular weight of 1010.15 g/mol, XLogP of 15.18, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-ditert-butyl-6-[6-[3-(N-[4-[2-(4-fluorophenyl)propan-2-yl]-2-pyridinyl]anilino)-5-phenylbenzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum is sourced from PubChem (CID 164742670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).