2-[3-[difluoro-(3-indazol-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]indazole;platinum(2+)

C27H16F2N4Pt — CID 58704190

IUPAC2-[3-[difluoro-(3-indazol-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]indazole;platinum(2+)
SMILESFC(F)(c1[c-]c(-n2cc3ccccc3n2)ccc1)c1[c-]c(-n2cc3ccccc3n2)ccc1.[Pt+2]
InChIInChI=1S/C27H16F2N4.Pt/c28-27(29,21-9-5-11-23(15-21)32-17-19-7-1-3-13-25(19)30-32)22-10-6-12-24(16-22)33-18-20-8-2-4-14-26(20)31-33;/h1-14,17-18H;/q-2;+2
InChIKeyNOZDLPWZCPJTLL-UHFFFAOYSA-N
MW629.53 g/mol
LogP6.10
Rot. Bonds4

About 2-[3-[difluoro-(3-indazol-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]indazole;platinum(2+)

2-[3-[difluoro-(3-indazol-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]indazole;platinum(2+) (PubChem CID 58704190) has the molecular formula C27H16F2N4Pt and a molecular weight of 629.53 g/mol. Its IUPAC name is 2-[3-[difluoro-(3-indazol-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]indazole;platinum(2+).

Molecular Properties

Compound Name2-[3-[difluoro-(3-indazol-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]indazole;platinum(2+)
PubChem CID58704190
Molecular FormulaC27H16F2N4Pt
Molecular Weight629.53 g/mol
Exact Mass629.10
IUPAC Name2-[3-[difluoro-(3-indazol-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]indazole;platinum(2+)
SMILESFC(F)(c1[c-]c(-n2cc3ccccc3n2)ccc1)c1[c-]c(-n2cc3ccccc3n2)ccc1.[Pt+2]
InChIInChI=1S/C27H16F2N4.Pt/c28-27(29,21-9-5-11-23(15-21)32-17-19-7-1-3-13-25(19)30-32)22-10-6-12-24(16-22)33-18-20-8-2-4-14-26(20)31-33;/h1-14,17-18H;/q-2;+2
InChIKeyNOZDLPWZCPJTLL-UHFFFAOYSA-N
XLogP6.10
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.53
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[difluoro-(3-indazol-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]indazole;platinum(2+)?
The IUPAC name of 2-[3-[difluoro-(3-indazol-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]indazole;platinum(2+) (CID 58704190) is 2-[3-[difluoro-(3-indazol-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]indazole;platinum(2+).
What is the SMILES notation for 2-[3-[difluoro-(3-indazol-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]indazole;platinum(2+)?
The canonical SMILES for 2-[3-[difluoro-(3-indazol-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]indazole;platinum(2+) is FC(F)(c1[c-]c(-n2cc3ccccc3n2)ccc1)c1[c-]c(-n2cc3ccccc3n2)ccc1.[Pt+2].
What is the InChIKey of 2-[3-[difluoro-(3-indazol-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]indazole;platinum(2+)?
The InChIKey is NOZDLPWZCPJTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16F2N4.Pt/c28-27(29,21-9-5-11-23(15-21)32-17-19-7-1-3-13-25(19)30-32)22-10-6-12-24(16-22)33-18-20-8-2-4-14-26(20)31-33;/h1-14,17-18H;/q-2;+2.
What are the key properties of 2-[3-[difluoro-(3-indazol-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]indazole;platinum(2+)?
2-[3-[difluoro-(3-indazol-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]indazole;platinum(2+) has a molecular weight of 629.53 g/mol, XLogP of 6.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[difluoro-(3-indazol-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]indazole;platinum(2+) is sourced from PubChem (CID 58704190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).