platinum;2-[6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol

C28H20N3OPt- — CID 140708798

IUPACplatinum;2-[6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol
SMILESOc1ccccc1-c1cccc(-c2[c-]c(N(c3ccccc3)c3ccccn3)ccc2)n1.[Pt]
InChIInChI=1S/C28H20N3O.Pt/c32-27-17-5-4-14-24(27)26-16-9-15-25(30-26)21-10-8-13-23(20-21)31(22-11-2-1-3-12-22)28-18-6-7-19-29-28;/h1-19,32H;/q-1;
InChIKeyAEIUPMWRPOPLRC-UHFFFAOYSA-N
MW609.57 g/mol
LogP6.78
Rot. Bonds5

About platinum;2-[6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol

platinum;2-[6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol (PubChem CID 140708798) has the molecular formula C28H20N3OPt- and a molecular weight of 609.57 g/mol. Its IUPAC name is platinum;2-[6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol.

Molecular Properties

Compound Nameplatinum;2-[6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol
PubChem CID140708798
Molecular FormulaC28H20N3OPt-
Molecular Weight609.57 g/mol
Exact Mass609.13
IUPAC Nameplatinum;2-[6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol
SMILESOc1ccccc1-c1cccc(-c2[c-]c(N(c3ccccc3)c3ccccn3)ccc2)n1.[Pt]
InChIInChI=1S/C28H20N3O.Pt/c32-27-17-5-4-14-24(27)26-16-9-15-25(30-26)21-10-8-13-23(20-21)31(22-11-2-1-3-12-22)28-18-6-7-19-29-28;/h1-19,32H;/q-1;
InChIKeyAEIUPMWRPOPLRC-UHFFFAOYSA-N
XLogP6.78
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.57
LogP ≤ 56.78
H-Bond Donors ≤ 51
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 platinum;2-[6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol?
The IUPAC name of platinum;2-[6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol (CID 140708798) is platinum;2-[6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol.
What is the SMILES notation for platinum;2-[6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol?
The canonical SMILES for platinum;2-[6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol is Oc1ccccc1-c1cccc(-c2[c-]c(N(c3ccccc3)c3ccccn3)ccc2)n1.[Pt].
What is the InChIKey of platinum;2-[6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol?
The InChIKey is AEIUPMWRPOPLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N3O.Pt/c32-27-17-5-4-14-24(27)26-16-9-15-25(30-26)21-10-8-13-23(20-21)31(22-11-2-1-3-12-22)28-18-6-7-19-29-28;/h1-19,32H;/q-1;.
What are the key properties of platinum;2-[6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol?
platinum;2-[6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol has a molecular weight of 609.57 g/mol, XLogP of 6.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for platinum;2-[6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol is sourced from PubChem (CID 140708798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).