15-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-30-oxa-10,17-diaza-23-boranonacyclo[21.11.1.02,22.03,19.04,9.010,18.011,16.024,29.031,35]pentatriaconta-1(35),2,4,6,8,11,13,15,17,19,21,24,26,28,31,33-hexadecaen-20-ol;platinum

C52H35BN3O2Pt- — CID 177294152

About 15-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-30-oxa-10,17-diaza-23-boranonacyclo[21.11.1.02,22.03,19.04,9.010,18.011,16.024,29.031,35]pentatriaconta-1(35),2,4,6,8,11,13,15,17,19,21,24,26,28,31,33-hexadecaen-20-ol;platinum

15-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-30-oxa-10,17-diaza-23-boranonacyclo[21.11.1.02,22.03,19.04,9.010,18.011,16.024,29.031,35]pentatriaconta-1(35),2,4,6,8,11,13,15,17,19,21,24,26,28,31,33-hexadecaen-20-ol;platinum (PubChem CID 177294152) has the molecular formula C52H35BN3O2Pt- and a molecular weight of 939.76 g/mol. Its IUPAC name is 15-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-30-oxa-10,17-diaza-23-boranonacyclo[21.11.1.02,22.03,19.04,9.010,18.011,16.024,29.031,35]pentatriaconta-1(35),2,4,6,8,11,13,15,17,19,21,24,26,28,31,33-hexadecaen-20-ol;platinum.

Molecular Properties

• Compound Name: 15-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-30-oxa-10,17-diaza-23-boranonacyclo[21.11.1.02,22.03,19.04,9.010,18.011,16.024,29.031,35]pentatriaconta-1(35),2,4,6,8,11,13,15,17,19,21,24,26,28,31,33-hexadecaen-20-ol;platinum
• PubChem CID: 177294152
• Molecular Formula: C52H35BN3O2Pt-
• Molecular Weight: 939.76 g/mol
• Exact Mass: 939.25
• IUPAC Name: 15-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-30-oxa-10,17-diaza-23-boranonacyclo[21.11.1.02,22.03,19.04,9.010,18.011,16.024,29.031,35]pentatriaconta-1(35),2,4,6,8,11,13,15,17,19,21,24,26,28,31,33-hexadecaen-20-ol;platinum
• SMILES: CC(C)(C)c1cc(-c2cc(-c3ccccc3)ccn2)[c-]c(-c2cccc3c2nc2c4c(O)cc5c(c4c4ccccc4n32)-c2cccc3c2B5c2ccccc2O3)c1.[Pt]
• InChI: InChI=1S/C52H35BN3O2.Pt/c1-52(2,3)34-26-32(25-33(27-34)40-28-31(23-24-54-40)30-13-5-4-6-14-30)35-16-11-20-42-50(35)55-51-48-43(57)29-39-46(47(48)36-15-7-9-19-41(36)56(42)51)37-17-12-22-45-49(37)53(39)38-18-8-10-21-44(38)58-45;/h4-24,26-29,57H,1-3H3;/q-1
• InChIKey: RMZOEHPEFFYPLZ-UHFFFAOYSA-N
• XLogP: 10.59
• TPSA: 59.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	939.76
LogP ≤ 5	10.59
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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 15-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-30-oxa-10,17-diaza-23-boranonacyclo[21.11.1.02,22.03,19.04,9.010,18.011,16.024,29.031,35]pentatriaconta-1(35),2,4,6,8,11,13,15,17,19,21,24,26,28,31,33-hexadecaen-20-ol;platinum?

The IUPAC name of 15-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-30-oxa-10,17-diaza-23-boranonacyclo[21.11.1.02,22.03,19.04,9.010,18.011,16.024,29.031,35]pentatriaconta-1(35),2,4,6,8,11,13,15,17,19,21,24,26,28,31,33-hexadecaen-20-ol;platinum (CID 177294152) is 15-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-30-oxa-10,17-diaza-23-boranonacyclo[21.11.1.02,22.03,19.04,9.010,18.011,16.024,29.031,35]pentatriaconta-1(35),2,4,6,8,11,13,15,17,19,21,24,26,28,31,33-hexadecaen-20-ol;platinum.

What is the SMILES notation for 15-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-30-oxa-10,17-diaza-23-boranonacyclo[21.11.1.02,22.03,19.04,9.010,18.011,16.024,29.031,35]pentatriaconta-1(35),2,4,6,8,11,13,15,17,19,21,24,26,28,31,33-hexadecaen-20-ol;platinum?

The canonical SMILES for 15-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-30-oxa-10,17-diaza-23-boranonacyclo[21.11.1.02,22.03,19.04,9.010,18.011,16.024,29.031,35]pentatriaconta-1(35),2,4,6,8,11,13,15,17,19,21,24,26,28,31,33-hexadecaen-20-ol;platinum is CC(C)(C)c1cc(-c2cc(-c3ccccc3)ccn2)[c-]c(-c2cccc3c2nc2c4c(O)cc5c(c4c4ccccc4n32)-c2cccc3c2B5c2ccccc2O3)c1.[Pt].

What is the InChIKey of 15-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-30-oxa-10,17-diaza-23-boranonacyclo[21.11.1.02,22.03,19.04,9.010,18.011,16.024,29.031,35]pentatriaconta-1(35),2,4,6,8,11,13,15,17,19,21,24,26,28,31,33-hexadecaen-20-ol;platinum?

The InChIKey is RMZOEHPEFFYPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35BN3O2.Pt/c1-52(2,3)34-26-32(25-33(27-34)40-28-31(23-24-54-40)30-13-5-4-6-14-30)35-16-11-20-42-50(35)55-51-48-43(57)29-39-46(47(48)36-15-7-9-19-41(36)56(42)51)37-17-12-22-45-49(37)53(39)38-18-8-10-21-44(38)58-45;/h4-24,26-29,57H,1-3H3;/q-1;.

What are the key properties of 15-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-30-oxa-10,17-diaza-23-boranonacyclo[21.11.1.02,22.03,19.04,9.010,18.011,16.024,29.031,35]pentatriaconta-1(35),2,4,6,8,11,13,15,17,19,21,24,26,28,31,33-hexadecaen-20-ol;platinum?

15-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-30-oxa-10,17-diaza-23-boranonacyclo[21.11.1.02,22.03,19.04,9.010,18.011,16.024,29.031,35]pentatriaconta-1(35),2,4,6,8,11,13,15,17,19,21,24,26,28,31,33-hexadecaen-20-ol;platinum has a molecular weight of 939.76 g/mol, XLogP of 10.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 15-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-30-oxa-10,17-diaza-23-boranonacyclo[21.11.1.02,22.03,19.04,9.010,18.011,16.024,29.031,35]pentatriaconta-1(35),2,4,6,8,11,13,15,17,19,21,24,26,28,31,33-hexadecaen-20-ol;platinum is sourced from PubChem (CID 177294152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).