20-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-3-oxa-19-azaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1,4(13),5,7,9,11,14,16,18(23),19,21,24,26,28-tetradecaen-16-ol;platinum

C48H33N2O2Pt- — CID 177294228

About 20-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-3-oxa-19-azaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1,4(13),5,7,9,11,14,16,18(23),19,21,24,26,28-tetradecaen-16-ol;platinum

20-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-3-oxa-19-azaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1,4(13),5,7,9,11,14,16,18(23),19,21,24,26,28-tetradecaen-16-ol;platinum (PubChem CID 177294228) has the molecular formula C48H33N2O2Pt- and a molecular weight of 864.88 g/mol. Its IUPAC name is 20-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-3-oxa-19-azaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1,4(13),5,7,9,11,14,16,18(23),19,21,24,26,28-tetradecaen-16-ol;platinum.

Molecular Properties

• Compound Name: 20-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-3-oxa-19-azaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1,4(13),5,7,9,11,14,16,18(23),19,21,24,26,28-tetradecaen-16-ol;platinum
• PubChem CID: 177294228
• Molecular Formula: C48H33N2O2Pt-
• Molecular Weight: 864.88 g/mol
• Exact Mass: 864.22
• IUPAC Name: 20-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-3-oxa-19-azaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1,4(13),5,7,9,11,14,16,18(23),19,21,24,26,28-tetradecaen-16-ol;platinum
• SMILES: CC(C)(C)c1cc(-c2cc(-c3ccccc3)ccn2)[c-]c(-c2ccc3c4ccccc4c4c5oc6ccc7ccccc7c6c5cc(O)c4c3n2)c1.[Pt]
• InChI: InChI=1S/C48H33N2O2.Pt/c1-48(2,3)33-24-31(23-32(25-33)40-26-30(21-22-49-40)28-11-5-4-6-12-28)39-19-18-37-35-15-9-10-16-36(35)44-45(46(37)50-39)41(51)27-38-43-34-14-8-7-13-29(34)17-20-42(43)52-47(38)44;/h4-22,24-27,51H,1-3H3;/q-1
• InChIKey: FOJUFKHHTIBKPI-UHFFFAOYSA-N
• XLogP: 12.79
• TPSA: 59.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	864.88
LogP ≤ 5	12.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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 20-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-3-oxa-19-azaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1,4(13),5,7,9,11,14,16,18(23),19,21,24,26,28-tetradecaen-16-ol;platinum?

The IUPAC name of 20-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-3-oxa-19-azaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1,4(13),5,7,9,11,14,16,18(23),19,21,24,26,28-tetradecaen-16-ol;platinum (CID 177294228) is 20-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-3-oxa-19-azaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1,4(13),5,7,9,11,14,16,18(23),19,21,24,26,28-tetradecaen-16-ol;platinum.

What is the SMILES notation for 20-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-3-oxa-19-azaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1,4(13),5,7,9,11,14,16,18(23),19,21,24,26,28-tetradecaen-16-ol;platinum?

The canonical SMILES for 20-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-3-oxa-19-azaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1,4(13),5,7,9,11,14,16,18(23),19,21,24,26,28-tetradecaen-16-ol;platinum is CC(C)(C)c1cc(-c2cc(-c3ccccc3)ccn2)[c-]c(-c2ccc3c4ccccc4c4c5oc6ccc7ccccc7c6c5cc(O)c4c3n2)c1.[Pt].

What is the InChIKey of 20-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-3-oxa-19-azaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1,4(13),5,7,9,11,14,16,18(23),19,21,24,26,28-tetradecaen-16-ol;platinum?

The InChIKey is FOJUFKHHTIBKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N2O2.Pt/c1-48(2,3)33-24-31(23-32(25-33)40-26-30(21-22-49-40)28-11-5-4-6-12-28)39-19-18-37-35-15-9-10-16-36(35)44-45(46(37)50-39)41(51)27-38-43-34-14-8-7-13-29(34)17-20-42(43)52-47(38)44;/h4-22,24-27,51H,1-3H3;/q-1;.

What are the key properties of 20-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-3-oxa-19-azaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1,4(13),5,7,9,11,14,16,18(23),19,21,24,26,28-tetradecaen-16-ol;platinum?

20-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-3-oxa-19-azaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1,4(13),5,7,9,11,14,16,18(23),19,21,24,26,28-tetradecaen-16-ol;platinum has a molecular weight of 864.88 g/mol, XLogP of 12.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 20-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-3-oxa-19-azaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1,4(13),5,7,9,11,14,16,18(23),19,21,24,26,28-tetradecaen-16-ol;platinum is sourced from PubChem (CID 177294228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).