(2R)-2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]-2,4,4,6,6-pentaphenoxy-1,5-diaza-3-azanida-2λ5,4λ5-diphospha-6-phosphoniacyclohexa-1,4-diene;(2S)-2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]-2,4,4,6,6-pentaphenoxy-1,5-diaza-3-azanida-2λ5,4λ5-diphospha-6-phosphoniacyclohexa-1,4-diene;iron(2+);dihexafluorophosphate

C102H78F12FeN12O12P8 — CID 139137586

About (2R)-2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]-2,4,4,6,6-pentaphenoxy-1,5-diaza-3-azanida-2λ5,4λ5-diphospha-6-phosphoniacyclohexa-1,4-diene;(2S)-2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]-2,4,4,6,6-pentaphenoxy-1,5-diaza-3-azanida-2λ5,4λ5-diphospha-6-phosphoniacyclohexa-1,4-diene;iron(2+);dihexafluorophosphate

(2R)-2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]-2,4,4,6,6-pentaphenoxy-1,5-diaza-3-azanida-2λ5,4λ5-diphospha-6-phosphoniacyclohexa-1,4-diene;(2S)-2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]-2,4,4,6,6-pentaphenoxy-1,5-diaza-3-azanida-2λ5,4λ5-diphospha-6-phosphoniacyclohexa-1,4-diene;iron(2+);dihexafluorophosphate (PubChem CID 139137586) has the molecular formula C102H78F12FeN12O12P8 and a molecular weight of 2195.43 g/mol. Its IUPAC name is (2R)-2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]-2,4,4,6,6-pentaphenoxy-1,5-diaza-3-azanida-2λ5,4λ5-diphospha-6-phosphoniacyclohexa-1,4-diene;(2S)-2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]-2,4,4,6,6-pentaphenoxy-1,5-diaza-3-azanida-2λ5,4λ5-diphospha-6-phosphoniacyclohexa-1,4-diene;iron(2+);dihexafluorophosphate.

Molecular Properties

• Compound Name: (2R)-2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]-2,4,4,6,6-pentaphenoxy-1,5-diaza-3-azanida-2λ5,4λ5-diphospha-6-phosphoniacyclohexa-1,4-diene;(2S)-2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]-2,4,4,6,6-pentaphenoxy-1,5-diaza-3-azanida-2λ5,4λ5-diphospha-6-phosphoniacyclohexa-1,4-diene;iron(2+);dihexafluorophosphate
• PubChem CID: 139137586
• Molecular Formula: C102H78F12FeN12O12P8
• Molecular Weight: 2195.43 g/mol
• Exact Mass: 2194.29
• IUPAC Name: (2R)-2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]-2,4,4,6,6-pentaphenoxy-1,5-diaza-3-azanida-2λ5,4λ5-diphospha-6-phosphoniacyclohexa-1,4-diene;(2S)-2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]-2,4,4,6,6-pentaphenoxy-1,5-diaza-3-azanida-2λ5,4λ5-diphospha-6-phosphoniacyclohexa-1,4-diene;iron(2+);dihexafluorophosphate
• SMILES: F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Fe+2].c1ccc(OP2(Oc3ccccc3)=N[P+](Oc3ccccc3)(Oc3ccccc3)N=[P@@](Oc3ccccc3)(Oc3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)[N-]2)cc1.c1ccc(OP2(Oc3ccccc3)=N[P+](Oc3ccccc3)(Oc3ccccc3)N=[P@](Oc3ccccc3)(Oc3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)[N-]2)cc1
• InChI: InChI=1S/2C51H39N6O6P3.2F6P.Fe/c2*1-6-20-42(21-7-1)58-64(59-43-22-8-2-9-23-43)55-65(60-44-24-10-3-11-25-44,61-45-26-12-4-13-27-45)57-66(56-64,62-46-28-14-5-15-29-46)63-47-34-32-40(33-35-47)41-38-50(48-30-16-18-36-52-48)54-51(39-41)49-31-17-19-37-53-49;2*1-7(2,3,4,5)6;/h2*1-39H;;;/q;;2*-1;+2
• InChIKey: VPFLTXCKNMEJCT-UHFFFAOYSA-N
• XLogP: 37.97
• TPSA: 265.74 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 30
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2195.43
LogP ≤ 5	37.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]-2,4,4,6,6-pentaphenoxy-1,5-diaza-3-azanida-2λ5,4λ5-diphospha-6-phosphoniacyclohexa-1,4-diene;(2S)-2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]-2,4,4,6,6-pentaphenoxy-1,5-diaza-3-azanida-2λ5,4λ5-diphospha-6-phosphoniacyclohexa-1,4-diene;iron(2+);dihexafluorophosphate?

The IUPAC name of (2R)-2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]-2,4,4,6,6-pentaphenoxy-1,5-diaza-3-azanida-2λ5,4λ5-diphospha-6-phosphoniacyclohexa-1,4-diene;(2S)-2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]-2,4,4,6,6-pentaphenoxy-1,5-diaza-3-azanida-2λ5,4λ5-diphospha-6-phosphoniacyclohexa-1,4-diene;iron(2+);dihexafluorophosphate (CID 139137586) is (2R)-2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]-2,4,4,6,6-pentaphenoxy-1,5-diaza-3-azanida-2λ5,4λ5-diphospha-6-phosphoniacyclohexa-1,4-diene;(2S)-2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]-2,4,4,6,6-pentaphenoxy-1,5-diaza-3-azanida-2λ5,4λ5-diphospha-6-phosphoniacyclohexa-1,4-diene;iron(2+);dihexafluorophosphate.

What is the SMILES notation for (2R)-2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]-2,4,4,6,6-pentaphenoxy-1,5-diaza-3-azanida-2λ5,4λ5-diphospha-6-phosphoniacyclohexa-1,4-diene;(2S)-2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]-2,4,4,6,6-pentaphenoxy-1,5-diaza-3-azanida-2λ5,4λ5-diphospha-6-phosphoniacyclohexa-1,4-diene;iron(2+);dihexafluorophosphate?

The canonical SMILES for (2R)-2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]-2,4,4,6,6-pentaphenoxy-1,5-diaza-3-azanida-2λ5,4λ5-diphospha-6-phosphoniacyclohexa-1,4-diene;(2S)-2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]-2,4,4,6,6-pentaphenoxy-1,5-diaza-3-azanida-2λ5,4λ5-diphospha-6-phosphoniacyclohexa-1,4-diene;iron(2+);dihexafluorophosphate is F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Fe+2].c1ccc(OP2(Oc3ccccc3)=N[P+](Oc3ccccc3)(Oc3ccccc3)N=[P@@](Oc3ccccc3)(Oc3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)[N-]2)cc1.c1ccc(OP2(Oc3ccccc3)=N[P+](Oc3ccccc3)(Oc3ccccc3)N=[P@](Oc3ccccc3)(Oc3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)[N-]2)cc1.

What is the InChIKey of (2R)-2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]-2,4,4,6,6-pentaphenoxy-1,5-diaza-3-azanida-2λ5,4λ5-diphospha-6-phosphoniacyclohexa-1,4-diene;(2S)-2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]-2,4,4,6,6-pentaphenoxy-1,5-diaza-3-azanida-2λ5,4λ5-diphospha-6-phosphoniacyclohexa-1,4-diene;iron(2+);dihexafluorophosphate?

The InChIKey is VPFLTXCKNMEJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C51H39N6O6P3.2F6P.Fe/c2*1-6-20-42(21-7-1)58-64(59-43-22-8-2-9-23-43)55-65(60-44-24-10-3-11-25-44,61-45-26-12-4-13-27-45)57-66(56-64,62-46-28-14-5-15-29-46)63-47-34-32-40(33-35-47)41-38-50(48-30-16-18-36-52-48)54-51(39-41)49-31-17-19-37-53-49;2*1-7(2,3,4,5)6;/h2*1-39H;;;/q;;2*-1;+2.

What are the key properties of (2R)-2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]-2,4,4,6,6-pentaphenoxy-1,5-diaza-3-azanida-2λ5,4λ5-diphospha-6-phosphoniacyclohexa-1,4-diene;(2S)-2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]-2,4,4,6,6-pentaphenoxy-1,5-diaza-3-azanida-2λ5,4λ5-diphospha-6-phosphoniacyclohexa-1,4-diene;iron(2+);dihexafluorophosphate?

(2R)-2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]-2,4,4,6,6-pentaphenoxy-1,5-diaza-3-azanida-2λ5,4λ5-diphospha-6-phosphoniacyclohexa-1,4-diene;(2S)-2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]-2,4,4,6,6-pentaphenoxy-1,5-diaza-3-azanida-2λ5,4λ5-diphospha-6-phosphoniacyclohexa-1,4-diene;iron(2+);dihexafluorophosphate has a molecular weight of 2195.43 g/mol, XLogP of 37.97, 30 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]-2,4,4,6,6-pentaphenoxy-1,5-diaza-3-azanida-2λ5,4λ5-diphospha-6-phosphoniacyclohexa-1,4-diene;(2S)-2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]-2,4,4,6,6-pentaphenoxy-1,5-diaza-3-azanida-2λ5,4λ5-diphospha-6-phosphoniacyclohexa-1,4-diene;iron(2+);dihexafluorophosphate is sourced from PubChem (CID 139137586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).