8-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-30-oxa-6,13,23-triazanonacyclo[21.11.1.02,22.04,20.05,13.07,12.014,19.024,29.031,35]pentatriaconta-2(22),3,5,7,9,11,14,16,18,20,24,26,28,31,33-pentadecaen-3-ol;platinum

C52H37N4O2Pt- — CID 177294173

About 8-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-30-oxa-6,13,23-triazanonacyclo[21.11.1.02,22.04,20.05,13.07,12.014,19.024,29.031,35]pentatriaconta-2(22),3,5,7,9,11,14,16,18,20,24,26,28,31,33-pentadecaen-3-ol;platinum

8-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-30-oxa-6,13,23-triazanonacyclo[21.11.1.02,22.04,20.05,13.07,12.014,19.024,29.031,35]pentatriaconta-2(22),3,5,7,9,11,14,16,18,20,24,26,28,31,33-pentadecaen-3-ol;platinum (PubChem CID 177294173) has the molecular formula C52H37N4O2Pt- and a molecular weight of 944.97 g/mol. Its IUPAC name is 8-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-30-oxa-6,13,23-triazanonacyclo[21.11.1.02,22.04,20.05,13.07,12.014,19.024,29.031,35]pentatriaconta-2(22),3,5,7,9,11,14,16,18,20,24,26,28,31,33-pentadecaen-3-ol;platinum.

Molecular Properties

• Compound Name: 8-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-30-oxa-6,13,23-triazanonacyclo[21.11.1.02,22.04,20.05,13.07,12.014,19.024,29.031,35]pentatriaconta-2(22),3,5,7,9,11,14,16,18,20,24,26,28,31,33-pentadecaen-3-ol;platinum
• PubChem CID: 177294173
• Molecular Formula: C52H37N4O2Pt-
• Molecular Weight: 944.97 g/mol
• Exact Mass: 944.26
• IUPAC Name: 8-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-30-oxa-6,13,23-triazanonacyclo[21.11.1.02,22.04,20.05,13.07,12.014,19.024,29.031,35]pentatriaconta-2(22),3,5,7,9,11,14,16,18,20,24,26,28,31,33-pentadecaen-3-ol;platinum
• SMILES: CC(C)(C)c1cc(-c2cc(-c3ccccc3)ccn2)[c-]c(-c2cccc3c2nc2c4c(O)c5c(cc4c4ccccc4n32)N2c3ccccc3OC3=CC=CC5C32)c1.[Pt]
• InChI: InChI=1S/C52H37N4O2.Pt/c1-52(2,3)34-26-32(25-33(27-34)39-28-31(23-24-53-39)30-13-5-4-6-14-30)35-16-11-20-42-48(35)54-51-47-38(36-15-7-8-18-40(36)56(42)51)29-43-46(50(47)57)37-17-12-22-45-49(37)55(43)41-19-9-10-21-44(41)58-45;/h4-24,26-29,37,49,57H,1-3H3;/q-1
• InChIKey: DCFPECLAMPXQLE-UHFFFAOYSA-N
• XLogP: 12.44
• TPSA: 62.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	944.97
LogP ≤ 5	12.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-30-oxa-6,13,23-triazanonacyclo[21.11.1.02,22.04,20.05,13.07,12.014,19.024,29.031,35]pentatriaconta-2(22),3,5,7,9,11,14,16,18,20,24,26,28,31,33-pentadecaen-3-ol;platinum?

The IUPAC name of 8-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-30-oxa-6,13,23-triazanonacyclo[21.11.1.02,22.04,20.05,13.07,12.014,19.024,29.031,35]pentatriaconta-2(22),3,5,7,9,11,14,16,18,20,24,26,28,31,33-pentadecaen-3-ol;platinum (CID 177294173) is 8-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-30-oxa-6,13,23-triazanonacyclo[21.11.1.02,22.04,20.05,13.07,12.014,19.024,29.031,35]pentatriaconta-2(22),3,5,7,9,11,14,16,18,20,24,26,28,31,33-pentadecaen-3-ol;platinum.

What is the SMILES notation for 8-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-30-oxa-6,13,23-triazanonacyclo[21.11.1.02,22.04,20.05,13.07,12.014,19.024,29.031,35]pentatriaconta-2(22),3,5,7,9,11,14,16,18,20,24,26,28,31,33-pentadecaen-3-ol;platinum?

The canonical SMILES for 8-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-30-oxa-6,13,23-triazanonacyclo[21.11.1.02,22.04,20.05,13.07,12.014,19.024,29.031,35]pentatriaconta-2(22),3,5,7,9,11,14,16,18,20,24,26,28,31,33-pentadecaen-3-ol;platinum is CC(C)(C)c1cc(-c2cc(-c3ccccc3)ccn2)[c-]c(-c2cccc3c2nc2c4c(O)c5c(cc4c4ccccc4n32)N2c3ccccc3OC3=CC=CC5C32)c1.[Pt].

What is the InChIKey of 8-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-30-oxa-6,13,23-triazanonacyclo[21.11.1.02,22.04,20.05,13.07,12.014,19.024,29.031,35]pentatriaconta-2(22),3,5,7,9,11,14,16,18,20,24,26,28,31,33-pentadecaen-3-ol;platinum?

The InChIKey is DCFPECLAMPXQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N4O2.Pt/c1-52(2,3)34-26-32(25-33(27-34)39-28-31(23-24-53-39)30-13-5-4-6-14-30)35-16-11-20-42-48(35)54-51-47-38(36-15-7-8-18-40(36)56(42)51)29-43-46(50(47)57)37-17-12-22-45-49(37)55(43)41-19-9-10-21-44(41)58-45;/h4-24,26-29,37,49,57H,1-3H3;/q-1;.

What are the key properties of 8-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-30-oxa-6,13,23-triazanonacyclo[21.11.1.02,22.04,20.05,13.07,12.014,19.024,29.031,35]pentatriaconta-2(22),3,5,7,9,11,14,16,18,20,24,26,28,31,33-pentadecaen-3-ol;platinum?

8-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-30-oxa-6,13,23-triazanonacyclo[21.11.1.02,22.04,20.05,13.07,12.014,19.024,29.031,35]pentatriaconta-2(22),3,5,7,9,11,14,16,18,20,24,26,28,31,33-pentadecaen-3-ol;platinum has a molecular weight of 944.97 g/mol, XLogP of 12.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-30-oxa-6,13,23-triazanonacyclo[21.11.1.02,22.04,20.05,13.07,12.014,19.024,29.031,35]pentatriaconta-2(22),3,5,7,9,11,14,16,18,20,24,26,28,31,33-pentadecaen-3-ol;platinum is sourced from PubChem (CID 177294173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).