2,4-ditert-butyl-6-[6-[3-tert-butyl-5-(N-[4-(naphthalen-1-ylmethyl)-2-pyridinyl]anilino)benzene-6-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum

C57H56N3OPt- — CID 164742953

About 2,4-ditert-butyl-6-[6-[3-tert-butyl-5-(N-[4-(naphthalen-1-ylmethyl)-2-pyridinyl]anilino)benzene-6-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum

2,4-ditert-butyl-6-[6-[3-tert-butyl-5-(N-[4-(naphthalen-1-ylmethyl)-2-pyridinyl]anilino)benzene-6-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum (PubChem CID 164742953) has the molecular formula C57H56N3OPt- and a molecular weight of 994.17 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[6-[3-tert-butyl-5-(N-[4-(naphthalen-1-ylmethyl)-2-pyridinyl]anilino)benzene-6-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[6-[3-tert-butyl-5-(N-[4-(naphthalen-1-ylmethyl)-2-pyridinyl]anilino)benzene-6-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum
• PubChem CID: 164742953
• Molecular Formula: C57H56N3OPt-
• Molecular Weight: 994.17 g/mol
• Exact Mass: 993.41
• IUPAC Name: 2,4-ditert-butyl-6-[6-[3-tert-butyl-5-(N-[4-(naphthalen-1-ylmethyl)-2-pyridinyl]anilino)benzene-6-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum
• SMILES: CC(C)(C)c1cc(-c2cc(-c3ccccc3)cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n2)[c-]c(N(c2ccccc2)c2cc(Cc3cccc4ccccc34)ccn2)c1.[Pt]
• InChI: InChI=1S/C57H56N3O.Pt/c1-55(2,3)44-31-43(51-33-42(39-19-12-10-13-20-39)34-52(59-51)49-36-45(56(4,5)6)37-50(54(49)61)57(7,8)9)32-47(35-44)60(46-24-14-11-15-25-46)53-30-38(27-28-58-53)29-41-23-18-22-40-21-16-17-26-48(40)41;/h10-28,30-31,33-37,61H,29H2,1-9H3;/q-1
• InChIKey: RGCQGMZDRVHBPT-UHFFFAOYSA-N
• XLogP: 15.09
• TPSA: 49.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	994.17
LogP ≤ 5	15.09
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-tert-butyl-5-(N-[4-(naphthalen-1-ylmethyl)-2-pyridinyl]anilino)benzene-6-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum?

The IUPAC name of 2,4-ditert-butyl-6-[6-[3-tert-butyl-5-(N-[4-(naphthalen-1-ylmethyl)-2-pyridinyl]anilino)benzene-6-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum (CID 164742953) is 2,4-ditert-butyl-6-[6-[3-tert-butyl-5-(N-[4-(naphthalen-1-ylmethyl)-2-pyridinyl]anilino)benzene-6-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum.

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

The canonical SMILES for 2,4-ditert-butyl-6-[6-[3-tert-butyl-5-(N-[4-(naphthalen-1-ylmethyl)-2-pyridinyl]anilino)benzene-6-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum is CC(C)(C)c1cc(-c2cc(-c3ccccc3)cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n2)[c-]c(N(c2ccccc2)c2cc(Cc3cccc4ccccc34)ccn2)c1.[Pt].

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

The InChIKey is RGCQGMZDRVHBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H56N3O.Pt/c1-55(2,3)44-31-43(51-33-42(39-19-12-10-13-20-39)34-52(59-51)49-36-45(56(4,5)6)37-50(54(49)61)57(7,8)9)32-47(35-44)60(46-24-14-11-15-25-46)53-30-38(27-28-58-53)29-41-23-18-22-40-21-16-17-26-48(40)41;/h10-28,30-31,33-37,61H,29H2,1-9H3;/q-1;.

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

2,4-ditert-butyl-6-[6-[3-tert-butyl-5-(N-[4-(naphthalen-1-ylmethyl)-2-pyridinyl]anilino)benzene-6-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum has a molecular weight of 994.17 g/mol, XLogP of 15.09, 8 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-tert-butyl-5-(N-[4-(naphthalen-1-ylmethyl)-2-pyridinyl]anilino)benzene-6-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum is sourced from PubChem (CID 164742953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).