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

C75H69F6N6O12Pt3-3 — CID 139257780

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

3-[6-[3,5-bis[6-[(2-carboxy-3-pyridinyl)oxy]hexoxy]phenoxy]hexoxy]pyridine-2-carboxylic acid;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);platinum (PubChem CID 139257780) has the molecular formula C75H69F6N6O12Pt3-3 and a molecular weight of 1945.63 g/mol. Its IUPAC name is 3-[6-[3,5-bis[6-[(2-carboxy-3-pyridinyl)oxy]hexoxy]phenoxy]hexoxy]pyridine-2-carboxylic acid;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);platinum.

Molecular Properties

• Compound Name: 3-[6-[3,5-bis[6-[(2-carboxy-3-pyridinyl)oxy]hexoxy]phenoxy]hexoxy]pyridine-2-carboxylic acid;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);platinum
• PubChem CID: 139257780
• Molecular Formula: C75H69F6N6O12Pt3-3
• Molecular Weight: 1945.63 g/mol
• Exact Mass: 1944.38
• IUPAC Name: 3-[6-[3,5-bis[6-[(2-carboxy-3-pyridinyl)oxy]hexoxy]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)c1ncccc1OCCCCCCOc1cc(OCCCCCCOc2cccnc2C(=O)O)cc(OCCCCCCOc2cccnc2C(=O)O)c1.[Pt].[Pt].[Pt]
• InChI: InChI=1S/C42H51N3O12.3C11H6F2N.3Pt/c46-40(47)37-34(16-13-19-43-37)55-25-10-4-1-7-22-52-31-28-32(53-23-8-2-5-11-26-56-35-17-14-20-44-38(35)41(48)49)30-33(29-31)54-24-9-3-6-12-27-57-36-18-15-21-45-39(36)42(50)51;3*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;;;/h13-21,28-30H,1-12,22-27H2,(H,46,47)(H,48,49)(H,50,51);3*1-4,6-7H;;;/q;3*-1
• InChIKey: QAYWUOCCSUMONF-UHFFFAOYSA-N
• XLogP: 16.49
• TPSA: 244.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 33
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1945.63
LogP ≤ 5	16.49
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-[3,5-bis[6-[(2-carboxy-3-pyridinyl)oxy]hexoxy]phenoxy]hexoxy]pyridine-2-carboxylic acid;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);platinum?

The IUPAC name of 3-[6-[3,5-bis[6-[(2-carboxy-3-pyridinyl)oxy]hexoxy]phenoxy]hexoxy]pyridine-2-carboxylic acid;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);platinum (CID 139257780) is 3-[6-[3,5-bis[6-[(2-carboxy-3-pyridinyl)oxy]hexoxy]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-[3,5-bis[6-[(2-carboxy-3-pyridinyl)oxy]hexoxy]phenoxy]hexoxy]pyridine-2-carboxylic acid;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);platinum?

The canonical SMILES for 3-[6-[3,5-bis[6-[(2-carboxy-3-pyridinyl)oxy]hexoxy]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)c1ncccc1OCCCCCCOc1cc(OCCCCCCOc2cccnc2C(=O)O)cc(OCCCCCCOc2cccnc2C(=O)O)c1.[Pt].[Pt].[Pt].

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

The InChIKey is QAYWUOCCSUMONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H51N3O12.3C11H6F2N.3Pt/c46-40(47)37-34(16-13-19-43-37)55-25-10-4-1-7-22-52-31-28-32(53-23-8-2-5-11-26-56-35-17-14-20-44-38(35)41(48)49)30-33(29-31)54-24-9-3-6-12-27-57-36-18-15-21-45-39(36)42(50)51;3*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;;;/h13-21,28-30H,1-12,22-27H2,(H,46,47)(H,48,49)(H,50,51);3*1-4,6-7H;;;/q;3*-1;;;.

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

3-[6-[3,5-bis[6-[(2-carboxy-3-pyridinyl)oxy]hexoxy]phenoxy]hexoxy]pyridine-2-carboxylic acid;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);platinum has a molecular weight of 1945.63 g/mol, XLogP of 16.49, 33 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[3,5-bis[6-[(2-carboxy-3-pyridinyl)oxy]hexoxy]phenoxy]hexoxy]pyridine-2-carboxylic acid;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);platinum is sourced from PubChem (CID 139257780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).