2-[bis[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]methyl]-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(platinum(2+))

C39H16F10N10Pt2 — CID 58756128

IUPAC2-[bis[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]methyl]-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(platinum(2+))
SMILESFc1c[c-]c(-c2cccc(C(c3cccc(-c4nc(C(F)(F)F)n[n-]4)n3)(c3cccc(-c4nc(C(F)(F)F)n[n-]4)n3)c3cccc(-c4[c-]cc(F)cc4F)n3)n2)c(F)c1.[Pt+2].[Pt+2]
InChIInChI=1S/C39H16F10N10.2Pt/c40-19-13-15-21(23(42)17-19)25-5-1-9-29(50-25)37(30-10-2-6-26(51-30)22-16-14-20(41)18-24(22)43,31-11-3-7-27(52-31)33-54-35(58-56-33)38(44,45)46)32-12-4-8-28(53-32)34-55-36(59-57-34)39(47,48)49;;/h1-14,17-18H;;/q-4;2*+2
InChIKeyOCZXSMAVKIQEOS-UHFFFAOYSA-N
MW1204.76 g/mol
LogP8.00
Rot. Bonds8

About 2-[bis[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]methyl]-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(platinum(2+))

2-[bis[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]methyl]-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(platinum(2+)) (PubChem CID 58756128) has the molecular formula C39H16F10N10Pt2 and a molecular weight of 1204.76 g/mol. Its IUPAC name is 2-[bis[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]methyl]-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(platinum(2+)).

Molecular Properties

Compound Name2-[bis[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]methyl]-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(platinum(2+))
PubChem CID58756128
Molecular FormulaC39H16F10N10Pt2
Molecular Weight1204.76 g/mol
Exact Mass1204.07
IUPAC Name2-[bis[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]methyl]-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(platinum(2+))
SMILESFc1c[c-]c(-c2cccc(C(c3cccc(-c4nc(C(F)(F)F)n[n-]4)n3)(c3cccc(-c4nc(C(F)(F)F)n[n-]4)n3)c3cccc(-c4[c-]cc(F)cc4F)n3)n2)c(F)c1.[Pt+2].[Pt+2]
InChIInChI=1S/C39H16F10N10.2Pt/c40-19-13-15-21(23(42)17-19)25-5-1-9-29(50-25)37(30-10-2-6-26(51-30)22-16-14-20(41)18-24(22)43,31-11-3-7-27(52-31)33-54-35(58-56-33)38(44,45)46)32-12-4-8-28(53-32)34-55-36(59-57-34)39(47,48)49;;/h1-14,17-18H;;/q-4;2*+2
InChIKeyOCZXSMAVKIQEOS-UHFFFAOYSA-N
XLogP8.00
TPSA131.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms61
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001204.76
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[bis[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]methyl]-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(platinum(2+)) with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[bis[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]methyl]-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(platinum(2+))?
The IUPAC name of 2-[bis[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]methyl]-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(platinum(2+)) (CID 58756128) is 2-[bis[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]methyl]-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(platinum(2+)).
What is the SMILES notation for 2-[bis[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]methyl]-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(platinum(2+))?
The canonical SMILES for 2-[bis[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]methyl]-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(platinum(2+)) is Fc1c[c-]c(-c2cccc(C(c3cccc(-c4nc(C(F)(F)F)n[n-]4)n3)(c3cccc(-c4nc(C(F)(F)F)n[n-]4)n3)c3cccc(-c4[c-]cc(F)cc4F)n3)n2)c(F)c1.[Pt+2].[Pt+2].
What is the InChIKey of 2-[bis[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]methyl]-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(platinum(2+))?
The InChIKey is OCZXSMAVKIQEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H16F10N10.2Pt/c40-19-13-15-21(23(42)17-19)25-5-1-9-29(50-25)37(30-10-2-6-26(51-30)22-16-14-20(41)18-24(22)43,31-11-3-7-27(52-31)33-54-35(58-56-33)38(44,45)46)32-12-4-8-28(53-32)34-55-36(59-57-34)39(47,48)49;;/h1-14,17-18H;;/q-4;2*+2.
What are the key properties of 2-[bis[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]methyl]-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(platinum(2+))?
2-[bis[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]methyl]-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(platinum(2+)) has a molecular weight of 1204.76 g/mol, XLogP of 8.00, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]methyl]-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(platinum(2+)) is sourced from PubChem (CID 58756128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).