3-[6-[4-[3,5-bis[4-[6-[(2-carboxy-3-pyridinyl)oxy]hexoxy]phenyl]phenyl]phenoxy]hexoxy]pyridine-2-carboxylic acid;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);platinum

C93H81F6N6O12Pt3-3 — CID 139257779

About 3-[6-[4-[3,5-bis[4-[6-[(2-carboxy-3-pyridinyl)oxy]hexoxy]phenyl]phenyl]phenoxy]hexoxy]pyridine-2-carboxylic acid;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);platinum

3-[6-[4-[3,5-bis[4-[6-[(2-carboxy-3-pyridinyl)oxy]hexoxy]phenyl]phenyl]phenoxy]hexoxy]pyridine-2-carboxylic acid;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);platinum (PubChem CID 139257779) has the molecular formula C93H81F6N6O12Pt3-3 and a molecular weight of 2173.92 g/mol. Its IUPAC name is 3-[6-[4-[3,5-bis[4-[6-[(2-carboxy-3-pyridinyl)oxy]hexoxy]phenyl]phenyl]phenoxy]hexoxy]pyridine-2-carboxylic acid;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);platinum.

Molecular Properties

• Compound Name: 3-[6-[4-[3,5-bis[4-[6-[(2-carboxy-3-pyridinyl)oxy]hexoxy]phenyl]phenyl]phenoxy]hexoxy]pyridine-2-carboxylic acid;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);platinum
• PubChem CID: 139257779
• Molecular Formula: C93H81F6N6O12Pt3-3
• Molecular Weight: 2173.92 g/mol
• Exact Mass: 2172.48
• IUPAC Name: 3-[6-[4-[3,5-bis[4-[6-[(2-carboxy-3-pyridinyl)oxy]hexoxy]phenyl]phenyl]phenoxy]hexoxy]pyridine-2-carboxylic acid;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);platinum
• SMILES: Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(O)c1ncccc1OCCCCCCOc1ccc(-c2cc(-c3ccc(OCCCCCCOc4cccnc4C(=O)O)cc3)cc(-c3ccc(OCCCCCCOc4cccnc4C(=O)O)cc3)c2)cc1.[Pt].[Pt].[Pt]
• InChI: InChI=1S/C60H63N3O12.3C11H6F2N.3Pt/c64-58(65)55-52(16-13-31-61-55)73-37-10-4-1-7-34-70-49-25-19-43(20-26-49)46-40-47(44-21-27-50(28-22-44)71-35-8-2-5-11-38-74-53-17-14-32-62-56(53)59(66)67)42-48(41-46)45-23-29-51(30-24-45)72-36-9-3-6-12-39-75-54-18-15-33-63-57(54)60(68)69;3*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;;;/h13-33,40-42H,1-12,34-39H2,(H,64,65)(H,66,67)(H,68,69);3*1-4,6-7H;;;/q;3*-1
• InChIKey: UWXRNJPPZCWDSE-UHFFFAOYSA-N
• XLogP: 21.50
• TPSA: 244.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 36
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2173.92
LogP ≤ 5	21.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-[3,5-bis[4-[6-[(2-carboxy-3-pyridinyl)oxy]hexoxy]phenyl]phenyl]phenoxy]hexoxy]pyridine-2-carboxylic acid;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);platinum?

The IUPAC name of 3-[6-[4-[3,5-bis[4-[6-[(2-carboxy-3-pyridinyl)oxy]hexoxy]phenyl]phenyl]phenoxy]hexoxy]pyridine-2-carboxylic acid;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);platinum (CID 139257779) is 3-[6-[4-[3,5-bis[4-[6-[(2-carboxy-3-pyridinyl)oxy]hexoxy]phenyl]phenyl]phenoxy]hexoxy]pyridine-2-carboxylic acid;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);platinum.

What is the SMILES notation for 3-[6-[4-[3,5-bis[4-[6-[(2-carboxy-3-pyridinyl)oxy]hexoxy]phenyl]phenyl]phenoxy]hexoxy]pyridine-2-carboxylic acid;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);platinum?

The canonical SMILES for 3-[6-[4-[3,5-bis[4-[6-[(2-carboxy-3-pyridinyl)oxy]hexoxy]phenyl]phenyl]phenoxy]hexoxy]pyridine-2-carboxylic acid;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);platinum is Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(O)c1ncccc1OCCCCCCOc1ccc(-c2cc(-c3ccc(OCCCCCCOc4cccnc4C(=O)O)cc3)cc(-c3ccc(OCCCCCCOc4cccnc4C(=O)O)cc3)c2)cc1.[Pt].[Pt].[Pt].

What is the InChIKey of 3-[6-[4-[3,5-bis[4-[6-[(2-carboxy-3-pyridinyl)oxy]hexoxy]phenyl]phenyl]phenoxy]hexoxy]pyridine-2-carboxylic acid;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);platinum?

The InChIKey is UWXRNJPPZCWDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H63N3O12.3C11H6F2N.3Pt/c64-58(65)55-52(16-13-31-61-55)73-37-10-4-1-7-34-70-49-25-19-43(20-26-49)46-40-47(44-21-27-50(28-22-44)71-35-8-2-5-11-38-74-53-17-14-32-62-56(53)59(66)67)42-48(41-46)45-23-29-51(30-24-45)72-36-9-3-6-12-39-75-54-18-15-33-63-57(54)60(68)69;3*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;;;/h13-33,40-42H,1-12,34-39H2,(H,64,65)(H,66,67)(H,68,69);3*1-4,6-7H;;;/q;3*-1;;;.

What are the key properties of 3-[6-[4-[3,5-bis[4-[6-[(2-carboxy-3-pyridinyl)oxy]hexoxy]phenyl]phenyl]phenoxy]hexoxy]pyridine-2-carboxylic acid;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);platinum?

3-[6-[4-[3,5-bis[4-[6-[(2-carboxy-3-pyridinyl)oxy]hexoxy]phenyl]phenyl]phenoxy]hexoxy]pyridine-2-carboxylic acid;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);platinum has a molecular weight of 2173.92 g/mol, XLogP of 21.50, 36 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[4-[3,5-bis[4-[6-[(2-carboxy-3-pyridinyl)oxy]hexoxy]phenyl]phenyl]phenoxy]hexoxy]pyridine-2-carboxylic acid;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);platinum is sourced from PubChem (CID 139257779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).