bis(chloroplatinum(1+));2-[3-(3,5-dipyridin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]pyridine

C32H20Cl2N4Pt2 — CID 21024808

IUPACbis(chloroplatinum(1+));2-[3-(3,5-dipyridin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]pyridine
SMILESCl[Pt+].Cl[Pt+].[c-]1c(-c2ccccn2)cc(-c2cc(-c3ccccn3)[c-]c(-c3ccccn3)c2)cc1-c1ccccn1
InChIInChI=1S/C32H20N4.2ClH.2Pt/c1-5-13-33-29(9-1)25-17-23(18-26(21-25)30-10-2-6-14-34-30)24-19-27(31-11-3-7-15-35-31)22-28(20-24)32-12-4-8-16-36-32;;;;/h1-20H;2*1H;;/q-2;;;2*+2/p-2
InChIKeyMNGPHWZYTJJZTA-UHFFFAOYSA-L
MW921.60 g/mol
LogP8.58
Rot. Bonds5

About bis(chloroplatinum(1+));2-[3-(3,5-dipyridin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]pyridine

bis(chloroplatinum(1+));2-[3-(3,5-dipyridin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]pyridine (PubChem CID 21024808) has the molecular formula C32H20Cl2N4Pt2 and a molecular weight of 921.60 g/mol. Its IUPAC name is bis(chloroplatinum(1+));2-[3-(3,5-dipyridin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]pyridine.

Molecular Properties

Compound Namebis(chloroplatinum(1+));2-[3-(3,5-dipyridin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]pyridine
PubChem CID21024808
Molecular FormulaC32H20Cl2N4Pt2
Molecular Weight921.60 g/mol
Exact Mass920.04
IUPAC Namebis(chloroplatinum(1+));2-[3-(3,5-dipyridin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]pyridine
SMILESCl[Pt+].Cl[Pt+].[c-]1c(-c2ccccn2)cc(-c2cc(-c3ccccn3)[c-]c(-c3ccccn3)c2)cc1-c1ccccn1
InChIInChI=1S/C32H20N4.2ClH.2Pt/c1-5-13-33-29(9-1)25-17-23(18-26(21-25)30-10-2-6-14-34-30)24-19-27(31-11-3-7-15-35-31)22-28(20-24)32-12-4-8-16-36-32;;;;/h1-20H;2*1H;;/q-2;;;2*+2/p-2
InChIKeyMNGPHWZYTJJZTA-UHFFFAOYSA-L
XLogP8.58
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500921.60
LogP ≤ 58.58
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 bis(chloroplatinum(1+));2-[3-(3,5-dipyridin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]pyridine?
The IUPAC name of bis(chloroplatinum(1+));2-[3-(3,5-dipyridin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]pyridine (CID 21024808) is bis(chloroplatinum(1+));2-[3-(3,5-dipyridin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]pyridine.
What is the SMILES notation for bis(chloroplatinum(1+));2-[3-(3,5-dipyridin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]pyridine?
The canonical SMILES for bis(chloroplatinum(1+));2-[3-(3,5-dipyridin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]pyridine is Cl[Pt+].Cl[Pt+].[c-]1c(-c2ccccn2)cc(-c2cc(-c3ccccn3)[c-]c(-c3ccccn3)c2)cc1-c1ccccn1.
What is the InChIKey of bis(chloroplatinum(1+));2-[3-(3,5-dipyridin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]pyridine?
The InChIKey is MNGPHWZYTJJZTA-UHFFFAOYSA-L. The full InChI is InChI=1S/C32H20N4.2ClH.2Pt/c1-5-13-33-29(9-1)25-17-23(18-26(21-25)30-10-2-6-14-34-30)24-19-27(31-11-3-7-15-35-31)22-28(20-24)32-12-4-8-16-36-32;;;;/h1-20H;2*1H;;/q-2;;;2*+2/p-2.
What are the key properties of bis(chloroplatinum(1+));2-[3-(3,5-dipyridin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]pyridine?
bis(chloroplatinum(1+));2-[3-(3,5-dipyridin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]pyridine has a molecular weight of 921.60 g/mol, XLogP of 8.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(chloroplatinum(1+));2-[3-(3,5-dipyridin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]pyridine is sourced from PubChem (CID 21024808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).