[[2-[(2,4-difluorobenzene-6-id-1-yl)amino]-5-(2,2-dimethylpropyl)phenyl]-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]sulfanyl]methylidene]azanide;platinum

C29H22F4N3PtS-3 — CID 58161779

IUPAC[[2-[(2,4-difluorobenzene-6-id-1-yl)amino]-5-(2,2-dimethylpropyl)phenyl]-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]sulfanyl]methylidene]azanide;platinum
SMILESCC(C)(C)Cc1ccc(Nc2[c-]cc(F)cc2F)c(C(=[N-])Sc2cccc(-c3[c-]cc(F)cc3F)n2)c1.[Pt]
InChIInChI=1S/C29H22F4N3S.Pt/c1-29(2,3)16-17-7-11-25(35-26-12-9-19(31)15-23(26)33)21(13-17)28(34)37-27-6-4-5-24(36-27)20-10-8-18(30)14-22(20)32;/h4-9,11,13-15,35H,16H2,1-3H3;/q-3;
InChIKeyKJKLUEDHVCBRFM-UHFFFAOYSA-N
MW715.65 g/mol
LogP8.34
Rot. Bonds6

About [[2-[(2,4-difluorobenzene-6-id-1-yl)amino]-5-(2,2-dimethylpropyl)phenyl]-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]sulfanyl]methylidene]azanide;platinum

[[2-[(2,4-difluorobenzene-6-id-1-yl)amino]-5-(2,2-dimethylpropyl)phenyl]-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]sulfanyl]methylidene]azanide;platinum (PubChem CID 58161779) has the molecular formula C29H22F4N3PtS-3 and a molecular weight of 715.65 g/mol. Its IUPAC name is [[2-[(2,4-difluorobenzene-6-id-1-yl)amino]-5-(2,2-dimethylpropyl)phenyl]-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]sulfanyl]methylidene]azanide;platinum.

Molecular Properties

Compound Name[[2-[(2,4-difluorobenzene-6-id-1-yl)amino]-5-(2,2-dimethylpropyl)phenyl]-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]sulfanyl]methylidene]azanide;platinum
PubChem CID58161779
Molecular FormulaC29H22F4N3PtS-3
Molecular Weight715.65 g/mol
Exact Mass715.11
IUPAC Name[[2-[(2,4-difluorobenzene-6-id-1-yl)amino]-5-(2,2-dimethylpropyl)phenyl]-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]sulfanyl]methylidene]azanide;platinum
SMILESCC(C)(C)Cc1ccc(Nc2[c-]cc(F)cc2F)c(C(=[N-])Sc2cccc(-c3[c-]cc(F)cc3F)n2)c1.[Pt]
InChIInChI=1S/C29H22F4N3S.Pt/c1-29(2,3)16-17-7-11-25(35-26-12-9-19(31)15-23(26)33)21(13-17)28(34)37-27-6-4-5-24(36-27)20-10-8-18(30)14-22(20)32;/h4-9,11,13-15,35H,16H2,1-3H3;/q-3;
InChIKeyKJKLUEDHVCBRFM-UHFFFAOYSA-N
XLogP8.34
TPSA47.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.65
LogP ≤ 58.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[2-[(2,4-difluorobenzene-6-id-1-yl)amino]-5-(2,2-dimethylpropyl)phenyl]-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]sulfanyl]methylidene]azanide;platinum?
The IUPAC name of [[2-[(2,4-difluorobenzene-6-id-1-yl)amino]-5-(2,2-dimethylpropyl)phenyl]-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]sulfanyl]methylidene]azanide;platinum (CID 58161779) is [[2-[(2,4-difluorobenzene-6-id-1-yl)amino]-5-(2,2-dimethylpropyl)phenyl]-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]sulfanyl]methylidene]azanide;platinum.
What is the SMILES notation for [[2-[(2,4-difluorobenzene-6-id-1-yl)amino]-5-(2,2-dimethylpropyl)phenyl]-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]sulfanyl]methylidene]azanide;platinum?
The canonical SMILES for [[2-[(2,4-difluorobenzene-6-id-1-yl)amino]-5-(2,2-dimethylpropyl)phenyl]-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]sulfanyl]methylidene]azanide;platinum is CC(C)(C)Cc1ccc(Nc2[c-]cc(F)cc2F)c(C(=[N-])Sc2cccc(-c3[c-]cc(F)cc3F)n2)c1.[Pt].
What is the InChIKey of [[2-[(2,4-difluorobenzene-6-id-1-yl)amino]-5-(2,2-dimethylpropyl)phenyl]-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]sulfanyl]methylidene]azanide;platinum?
The InChIKey is KJKLUEDHVCBRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22F4N3S.Pt/c1-29(2,3)16-17-7-11-25(35-26-12-9-19(31)15-23(26)33)21(13-17)28(34)37-27-6-4-5-24(36-27)20-10-8-18(30)14-22(20)32;/h4-9,11,13-15,35H,16H2,1-3H3;/q-3;.
What are the key properties of [[2-[(2,4-difluorobenzene-6-id-1-yl)amino]-5-(2,2-dimethylpropyl)phenyl]-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]sulfanyl]methylidene]azanide;platinum?
[[2-[(2,4-difluorobenzene-6-id-1-yl)amino]-5-(2,2-dimethylpropyl)phenyl]-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]sulfanyl]methylidene]azanide;platinum has a molecular weight of 715.65 g/mol, XLogP of 8.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-[(2,4-difluorobenzene-6-id-1-yl)amino]-5-(2,2-dimethylpropyl)phenyl]-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]sulfanyl]methylidene]azanide;platinum is sourced from PubChem (CID 58161779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).