4-phenyl-2-[2-phenyl-5-[4-phenyl-3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]pyridine;platinum(2+)

C46H30N2OPt — CID 153428928

IUPAC4-phenyl-2-[2-phenyl-5-[4-phenyl-3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]pyridine;platinum(2+)
SMILES[Pt+2].[c-]1c(Oc2[c-]c(-c3cc(-c4ccccc4)ccn3)c(-c3ccccc3)cc2)ccc(-c2ccccc2)c1-c1cc(-c2ccccc2)ccn1
InChIInChI=1S/C46H30N2O.Pt/c1-5-13-33(14-6-1)37-25-27-47-45(29-37)43-31-39(21-23-41(43)35-17-9-3-10-18-35)49-40-22-24-42(36-19-11-4-12-20-36)44(32-40)46-30-38(26-28-48-46)34-15-7-2-8-16-34;/h1-30H;/q-2;+2
InChIKeyBSIZODNXQJIRFQ-UHFFFAOYSA-N
MW821.84 g/mol
LogP11.87
Rot. Bonds8

About 4-phenyl-2-[2-phenyl-5-[4-phenyl-3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]pyridine;platinum(2+)

4-phenyl-2-[2-phenyl-5-[4-phenyl-3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]pyridine;platinum(2+) (PubChem CID 153428928) has the molecular formula C46H30N2OPt and a molecular weight of 821.84 g/mol. Its IUPAC name is 4-phenyl-2-[2-phenyl-5-[4-phenyl-3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]pyridine;platinum(2+).

Molecular Properties

Compound Name4-phenyl-2-[2-phenyl-5-[4-phenyl-3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]pyridine;platinum(2+)
PubChem CID153428928
Molecular FormulaC46H30N2OPt
Molecular Weight821.84 g/mol
Exact Mass821.20
IUPAC Name4-phenyl-2-[2-phenyl-5-[4-phenyl-3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]pyridine;platinum(2+)
SMILES[Pt+2].[c-]1c(Oc2[c-]c(-c3cc(-c4ccccc4)ccn3)c(-c3ccccc3)cc2)ccc(-c2ccccc2)c1-c1cc(-c2ccccc2)ccn1
InChIInChI=1S/C46H30N2O.Pt/c1-5-13-33(14-6-1)37-25-27-47-45(29-37)43-31-39(21-23-41(43)35-17-9-3-10-18-35)49-40-22-24-42(36-19-11-4-12-20-36)44(32-40)46-30-38(26-28-48-46)34-15-7-2-8-16-34;/h1-30H;/q-2;+2
InChIKeyBSIZODNXQJIRFQ-UHFFFAOYSA-N
XLogP11.87
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.84
LogP ≤ 511.87
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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Related Compounds

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CID 159449942
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CID 153428802
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CID 153434672
4-phenyl-2-(3-phenylphenyl)pyridine
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CID 54208390
2-(2,4-dimethylphenyl)-4-phenylpyridine
CID 166502806
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-5-phenylphenyl]-3-(4-phenylphenyl)phenyl]-4-phenylpyridine
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8-(4-phenyl-2-pyridinyl)-6-[8-(4-phenyl-2-pyridinyl)isoquinolin-6-yl]oxyisoquinoline
CID 153428933
4-tert-butyl-2-[3-[5-(4-tert-butyl-2-pyridinyl)-2-phenylbenzene-6-id-1-yl]oxy-4-phenylbenzene-2-id-1-yl]pyridine;platinum(2+)
CID 153428858
2-(4-phenylphenyl)-4-(4-propan-2-ylphenyl)pyridine
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2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine
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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[2-phenyl-5-[4-phenyl-3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]pyridine;platinum(2+)?
The IUPAC name of 4-phenyl-2-[2-phenyl-5-[4-phenyl-3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]pyridine;platinum(2+) (CID 153428928) is 4-phenyl-2-[2-phenyl-5-[4-phenyl-3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]pyridine;platinum(2+).
What is the SMILES notation for 4-phenyl-2-[2-phenyl-5-[4-phenyl-3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]pyridine;platinum(2+)?
The canonical SMILES for 4-phenyl-2-[2-phenyl-5-[4-phenyl-3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]pyridine;platinum(2+) is [Pt+2].[c-]1c(Oc2[c-]c(-c3cc(-c4ccccc4)ccn3)c(-c3ccccc3)cc2)ccc(-c2ccccc2)c1-c1cc(-c2ccccc2)ccn1.
What is the InChIKey of 4-phenyl-2-[2-phenyl-5-[4-phenyl-3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]pyridine;platinum(2+)?
The InChIKey is BSIZODNXQJIRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2O.Pt/c1-5-13-33(14-6-1)37-25-27-47-45(29-37)43-31-39(21-23-41(43)35-17-9-3-10-18-35)49-40-22-24-42(36-19-11-4-12-20-36)44(32-40)46-30-38(26-28-48-46)34-15-7-2-8-16-34;/h1-30H;/q-2;+2.
What are the key properties of 4-phenyl-2-[2-phenyl-5-[4-phenyl-3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]pyridine;platinum(2+)?
4-phenyl-2-[2-phenyl-5-[4-phenyl-3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]pyridine;platinum(2+) has a molecular weight of 821.84 g/mol, XLogP of 11.87, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[2-phenyl-5-[4-phenyl-3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]pyridine;platinum(2+) is sourced from PubChem (CID 153428928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).