4-phenyl-2-[4-[[3-(4-phenyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]-3H-naphthalen-3-id-2-yl]pyridine;platinum(2+)

C42H26N2OPt — CID 153428878

IUPAC4-phenyl-2-[4-[[3-(4-phenyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]-3H-naphthalen-3-id-2-yl]pyridine;platinum(2+)
SMILES[Pt+2].[c-]1c(-c2cc(-c3ccccc3)ccn2)cc2ccccc2c1Oc1[c-]c(-c2cc(-c3ccccc3)ccn2)cc2ccccc12
InChIInChI=1S/C42H26N2O.Pt/c1-3-11-29(12-4-1)31-19-21-43-39(25-31)35-23-33-15-7-9-17-37(33)41(27-35)45-42-28-36(24-34-16-8-10-18-38(34)42)40-26-32(20-22-44-40)30-13-5-2-6-14-30;/h1-26H;/q-2;+2
InChIKeyAGWRFKRXKASTMJ-UHFFFAOYSA-N
MW769.76 g/mol
LogP10.84
Rot. Bonds6

About 4-phenyl-2-[4-[[3-(4-phenyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]-3H-naphthalen-3-id-2-yl]pyridine;platinum(2+)

4-phenyl-2-[4-[[3-(4-phenyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]-3H-naphthalen-3-id-2-yl]pyridine;platinum(2+) (PubChem CID 153428878) has the molecular formula C42H26N2OPt and a molecular weight of 769.76 g/mol. Its IUPAC name is 4-phenyl-2-[4-[[3-(4-phenyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]-3H-naphthalen-3-id-2-yl]pyridine;platinum(2+).

Molecular Properties

Compound Name4-phenyl-2-[4-[[3-(4-phenyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]-3H-naphthalen-3-id-2-yl]pyridine;platinum(2+)
PubChem CID153428878
Molecular FormulaC42H26N2OPt
Molecular Weight769.76 g/mol
Exact Mass769.17
IUPAC Name4-phenyl-2-[4-[[3-(4-phenyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]-3H-naphthalen-3-id-2-yl]pyridine;platinum(2+)
SMILES[Pt+2].[c-]1c(-c2cc(-c3ccccc3)ccn2)cc2ccccc2c1Oc1[c-]c(-c2cc(-c3ccccc3)ccn2)cc2ccccc12
InChIInChI=1S/C42H26N2O.Pt/c1-3-11-29(12-4-1)31-19-21-43-39(25-31)35-23-33-15-7-9-17-37(33)41(27-35)45-42-28-36(24-34-16-8-10-18-38(34)42)40-26-32(20-22-44-40)30-13-5-2-6-14-30;/h1-26H;/q-2;+2
InChIKeyAGWRFKRXKASTMJ-UHFFFAOYSA-N
XLogP10.84
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.76
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-phenyl-2-[4-[[3-(4-phenyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]-3H-naphthalen-3-id-2-yl]pyridine;platinum(2+)?
The IUPAC name of 4-phenyl-2-[4-[[3-(4-phenyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]-3H-naphthalen-3-id-2-yl]pyridine;platinum(2+) (CID 153428878) is 4-phenyl-2-[4-[[3-(4-phenyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]-3H-naphthalen-3-id-2-yl]pyridine;platinum(2+).
What is the SMILES notation for 4-phenyl-2-[4-[[3-(4-phenyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]-3H-naphthalen-3-id-2-yl]pyridine;platinum(2+)?
The canonical SMILES for 4-phenyl-2-[4-[[3-(4-phenyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]-3H-naphthalen-3-id-2-yl]pyridine;platinum(2+) is [Pt+2].[c-]1c(-c2cc(-c3ccccc3)ccn2)cc2ccccc2c1Oc1[c-]c(-c2cc(-c3ccccc3)ccn2)cc2ccccc12.
What is the InChIKey of 4-phenyl-2-[4-[[3-(4-phenyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]-3H-naphthalen-3-id-2-yl]pyridine;platinum(2+)?
The InChIKey is AGWRFKRXKASTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2O.Pt/c1-3-11-29(12-4-1)31-19-21-43-39(25-31)35-23-33-15-7-9-17-37(33)41(27-35)45-42-28-36(24-34-16-8-10-18-38(34)42)40-26-32(20-22-44-40)30-13-5-2-6-14-30;/h1-26H;/q-2;+2.
What are the key properties of 4-phenyl-2-[4-[[3-(4-phenyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]-3H-naphthalen-3-id-2-yl]pyridine;platinum(2+)?
4-phenyl-2-[4-[[3-(4-phenyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]-3H-naphthalen-3-id-2-yl]pyridine;platinum(2+) has a molecular weight of 769.76 g/mol, XLogP of 10.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[4-[[3-(4-phenyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]-3H-naphthalen-3-id-2-yl]pyridine;platinum(2+) is sourced from PubChem (CID 153428878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).