8-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-6,13,23-triazanonacyclo[21.10.1.02,22.04,20.05,13.07,12.014,19.024,29.030,34]tetratriaconta-1(33),2(22),3,5,7,9,11,14,16,18,20,24,26,28,30(34),31-hexadecaen-3-ol;platinum

C52H35N4OPt- — CID 177294147

About 8-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-6,13,23-triazanonacyclo[21.10.1.02,22.04,20.05,13.07,12.014,19.024,29.030,34]tetratriaconta-1(33),2(22),3,5,7,9,11,14,16,18,20,24,26,28,30(34),31-hexadecaen-3-ol;platinum

8-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-6,13,23-triazanonacyclo[21.10.1.02,22.04,20.05,13.07,12.014,19.024,29.030,34]tetratriaconta-1(33),2(22),3,5,7,9,11,14,16,18,20,24,26,28,30(34),31-hexadecaen-3-ol;platinum (PubChem CID 177294147) has the molecular formula C52H35N4OPt- and a molecular weight of 926.96 g/mol. Its IUPAC name is 8-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-6,13,23-triazanonacyclo[21.10.1.02,22.04,20.05,13.07,12.014,19.024,29.030,34]tetratriaconta-1(33),2(22),3,5,7,9,11,14,16,18,20,24,26,28,30(34),31-hexadecaen-3-ol;platinum.

Molecular Properties

• Compound Name: 8-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-6,13,23-triazanonacyclo[21.10.1.02,22.04,20.05,13.07,12.014,19.024,29.030,34]tetratriaconta-1(33),2(22),3,5,7,9,11,14,16,18,20,24,26,28,30(34),31-hexadecaen-3-ol;platinum
• PubChem CID: 177294147
• Molecular Formula: C52H35N4OPt-
• Molecular Weight: 926.96 g/mol
• Exact Mass: 926.25
• IUPAC Name: 8-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-6,13,23-triazanonacyclo[21.10.1.02,22.04,20.05,13.07,12.014,19.024,29.030,34]tetratriaconta-1(33),2(22),3,5,7,9,11,14,16,18,20,24,26,28,30(34),31-hexadecaen-3-ol;platinum
• SMILES: CC(C)(C)c1cc(-c2cc(-c3ccccc3)ccn2)[c-]c(-c2cccc3c2nc2c4c(O)c5c6cccc7c8ccccc8n(c5cc4c4ccccc4n32)c76)c1.[Pt]
• InChI: InChI=1S/C52H35N4O.Pt/c1-52(2,3)34-26-32(25-33(27-34)41-28-31(23-24-53-41)30-13-5-4-6-14-30)35-17-12-22-44-48(35)54-51-47-40(37-16-8-10-21-43(37)56(44)51)29-45-46(50(47)57)39-19-11-18-38-36-15-7-9-20-42(36)55(45)49(38)39;/h4-24,26-29,57H,1-3H3;/q-1
• InChIKey: RWXIASURIOAOME-UHFFFAOYSA-N
• XLogP: 13.14
• TPSA: 54.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	926.96
LogP ≤ 5	13.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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]-6,13,23-triazanonacyclo[21.10.1.02,22.04,20.05,13.07,12.014,19.024,29.030,34]tetratriaconta-1(33),2(22),3,5,7,9,11,14,16,18,20,24,26,28,30(34),31-hexadecaen-3-ol;platinum?

The IUPAC name of 8-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-6,13,23-triazanonacyclo[21.10.1.02,22.04,20.05,13.07,12.014,19.024,29.030,34]tetratriaconta-1(33),2(22),3,5,7,9,11,14,16,18,20,24,26,28,30(34),31-hexadecaen-3-ol;platinum (CID 177294147) is 8-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-6,13,23-triazanonacyclo[21.10.1.02,22.04,20.05,13.07,12.014,19.024,29.030,34]tetratriaconta-1(33),2(22),3,5,7,9,11,14,16,18,20,24,26,28,30(34),31-hexadecaen-3-ol;platinum.

What is the SMILES notation for 8-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-6,13,23-triazanonacyclo[21.10.1.02,22.04,20.05,13.07,12.014,19.024,29.030,34]tetratriaconta-1(33),2(22),3,5,7,9,11,14,16,18,20,24,26,28,30(34),31-hexadecaen-3-ol;platinum?

The canonical SMILES for 8-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-6,13,23-triazanonacyclo[21.10.1.02,22.04,20.05,13.07,12.014,19.024,29.030,34]tetratriaconta-1(33),2(22),3,5,7,9,11,14,16,18,20,24,26,28,30(34),31-hexadecaen-3-ol;platinum is CC(C)(C)c1cc(-c2cc(-c3ccccc3)ccn2)[c-]c(-c2cccc3c2nc2c4c(O)c5c6cccc7c8ccccc8n(c5cc4c4ccccc4n32)c76)c1.[Pt].

What is the InChIKey of 8-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-6,13,23-triazanonacyclo[21.10.1.02,22.04,20.05,13.07,12.014,19.024,29.030,34]tetratriaconta-1(33),2(22),3,5,7,9,11,14,16,18,20,24,26,28,30(34),31-hexadecaen-3-ol;platinum?

The InChIKey is RWXIASURIOAOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N4O.Pt/c1-52(2,3)34-26-32(25-33(27-34)41-28-31(23-24-53-41)30-13-5-4-6-14-30)35-17-12-22-44-48(35)54-51-47-40(37-16-8-10-21-43(37)56(44)51)29-45-46(50(47)57)39-19-11-18-38-36-15-7-9-20-42(36)55(45)49(38)39;/h4-24,26-29,57H,1-3H3;/q-1;.

What are the key properties of 8-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-6,13,23-triazanonacyclo[21.10.1.02,22.04,20.05,13.07,12.014,19.024,29.030,34]tetratriaconta-1(33),2(22),3,5,7,9,11,14,16,18,20,24,26,28,30(34),31-hexadecaen-3-ol;platinum?

8-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-6,13,23-triazanonacyclo[21.10.1.02,22.04,20.05,13.07,12.014,19.024,29.030,34]tetratriaconta-1(33),2(22),3,5,7,9,11,14,16,18,20,24,26,28,30(34),31-hexadecaen-3-ol;platinum has a molecular weight of 926.96 g/mol, XLogP of 13.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 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]-6,13,23-triazanonacyclo[21.10.1.02,22.04,20.05,13.07,12.014,19.024,29.030,34]tetratriaconta-1(33),2(22),3,5,7,9,11,14,16,18,20,24,26,28,30(34),31-hexadecaen-3-ol;platinum is sourced from PubChem (CID 177294147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).