5-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-20-oxa-3,10-diazaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.021,26]octacosa-1(28),2,4,6,8,11,13,15,17,19(27),21,23,25-tridecaen-28-ol;platinum

C46H32N3O2Pt- — CID 177294262

About 5-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-20-oxa-3,10-diazaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.021,26]octacosa-1(28),2,4,6,8,11,13,15,17,19(27),21,23,25-tridecaen-28-ol;platinum

5-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-20-oxa-3,10-diazaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.021,26]octacosa-1(28),2,4,6,8,11,13,15,17,19(27),21,23,25-tridecaen-28-ol;platinum (PubChem CID 177294262) has the molecular formula C46H32N3O2Pt- and a molecular weight of 853.86 g/mol. Its IUPAC name is 5-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-20-oxa-3,10-diazaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.021,26]octacosa-1(28),2,4,6,8,11,13,15,17,19(27),21,23,25-tridecaen-28-ol;platinum.

Molecular Properties

• Compound Name: 5-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-20-oxa-3,10-diazaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.021,26]octacosa-1(28),2,4,6,8,11,13,15,17,19(27),21,23,25-tridecaen-28-ol;platinum
• PubChem CID: 177294262
• Molecular Formula: C46H32N3O2Pt-
• Molecular Weight: 853.86 g/mol
• Exact Mass: 853.21
• IUPAC Name: 5-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-20-oxa-3,10-diazaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.021,26]octacosa-1(28),2,4,6,8,11,13,15,17,19(27),21,23,25-tridecaen-28-ol;platinum
• SMILES: CC(C)(C)c1cc(-c2cc(-c3ccccc3)ccn2)[c-]c(-c2cccc3c2nc2c4c(O)c5c(cc4c4ccccc4n32)oc2ccccc25)c1.[Pt]
• InChI: InChI=1S/C46H32N3O2.Pt/c1-46(2,3)31-23-29(22-30(24-31)36-25-28(20-21-47-36)27-12-5-4-6-13-27)32-16-11-18-38-43(32)48-45-42-35(33-14-7-9-17-37(33)49(38)45)26-40-41(44(42)50)34-15-8-10-19-39(34)51-40;/h4-21,23-26,50H,1-3H3;/q-1
• InChIKey: MVWJPEJUDNIMQU-UHFFFAOYSA-N
• XLogP: 11.89
• TPSA: 63.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	853.86
LogP ≤ 5	11.89
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 5-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-20-oxa-3,10-diazaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.021,26]octacosa-1(28),2,4,6,8,11,13,15,17,19(27),21,23,25-tridecaen-28-ol;platinum?

The IUPAC name of 5-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-20-oxa-3,10-diazaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.021,26]octacosa-1(28),2,4,6,8,11,13,15,17,19(27),21,23,25-tridecaen-28-ol;platinum (CID 177294262) is 5-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-20-oxa-3,10-diazaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.021,26]octacosa-1(28),2,4,6,8,11,13,15,17,19(27),21,23,25-tridecaen-28-ol;platinum.

What is the SMILES notation for 5-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-20-oxa-3,10-diazaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.021,26]octacosa-1(28),2,4,6,8,11,13,15,17,19(27),21,23,25-tridecaen-28-ol;platinum?

The canonical SMILES for 5-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-20-oxa-3,10-diazaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.021,26]octacosa-1(28),2,4,6,8,11,13,15,17,19(27),21,23,25-tridecaen-28-ol;platinum is CC(C)(C)c1cc(-c2cc(-c3ccccc3)ccn2)[c-]c(-c2cccc3c2nc2c4c(O)c5c(cc4c4ccccc4n32)oc2ccccc25)c1.[Pt].

What is the InChIKey of 5-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-20-oxa-3,10-diazaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.021,26]octacosa-1(28),2,4,6,8,11,13,15,17,19(27),21,23,25-tridecaen-28-ol;platinum?

The InChIKey is MVWJPEJUDNIMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N3O2.Pt/c1-46(2,3)31-23-29(22-30(24-31)36-25-28(20-21-47-36)27-12-5-4-6-13-27)32-16-11-18-38-43(32)48-45-42-35(33-14-7-9-17-37(33)49(38)45)26-40-41(44(42)50)34-15-8-10-19-39(34)51-40;/h4-21,23-26,50H,1-3H3;/q-1;.

What are the key properties of 5-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-20-oxa-3,10-diazaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.021,26]octacosa-1(28),2,4,6,8,11,13,15,17,19(27),21,23,25-tridecaen-28-ol;platinum?

5-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-20-oxa-3,10-diazaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.021,26]octacosa-1(28),2,4,6,8,11,13,15,17,19(27),21,23,25-tridecaen-28-ol;platinum has a molecular weight of 853.86 g/mol, XLogP of 11.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-20-oxa-3,10-diazaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.021,26]octacosa-1(28),2,4,6,8,11,13,15,17,19(27),21,23,25-tridecaen-28-ol;platinum is sourced from PubChem (CID 177294262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).