2-(1-phenyl-4H-pyrazol-4-id-3-yl)-6-[2-[6-(1-phenyl-3H-pyrrol-3-id-4-yl)-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)

C32H25N5Pt — CID 140837726

IUPAC2-(1-phenyl-4H-pyrazol-4-id-3-yl)-6-[2-[6-(1-phenyl-3H-pyrrol-3-id-4-yl)-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)
SMILESCC(C)(c1cccc(-c2[c-]cn(-c3ccccc3)c2)n1)c1cccc(-c2[c-]cn(-c3ccccc3)n2)n1.[Pt+2]
InChIInChI=1S/C32H25N5.Pt/c1-32(2,30-17-9-15-27(33-30)24-19-21-36(23-24)25-11-5-3-6-12-25)31-18-10-16-28(34-31)29-20-22-37(35-29)26-13-7-4-8-14-26;/h3-18,21-23H,1-2H3;/q-2;+2
InChIKeyKXULVCDUBVEYBM-UHFFFAOYSA-N
MW674.67 g/mol
LogP6.71
Rot. Bonds6

About 2-(1-phenyl-4H-pyrazol-4-id-3-yl)-6-[2-[6-(1-phenyl-3H-pyrrol-3-id-4-yl)-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)

2-(1-phenyl-4H-pyrazol-4-id-3-yl)-6-[2-[6-(1-phenyl-3H-pyrrol-3-id-4-yl)-2-pyridinyl]propan-2-yl]pyridine;platinum(2+) (PubChem CID 140837726) has the molecular formula C32H25N5Pt and a molecular weight of 674.67 g/mol. Its IUPAC name is 2-(1-phenyl-4H-pyrazol-4-id-3-yl)-6-[2-[6-(1-phenyl-3H-pyrrol-3-id-4-yl)-2-pyridinyl]propan-2-yl]pyridine;platinum(2+).

Molecular Properties

Compound Name2-(1-phenyl-4H-pyrazol-4-id-3-yl)-6-[2-[6-(1-phenyl-3H-pyrrol-3-id-4-yl)-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)
PubChem CID140837726
Molecular FormulaC32H25N5Pt
Molecular Weight674.67 g/mol
Exact Mass674.18
IUPAC Name2-(1-phenyl-4H-pyrazol-4-id-3-yl)-6-[2-[6-(1-phenyl-3H-pyrrol-3-id-4-yl)-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)
SMILESCC(C)(c1cccc(-c2[c-]cn(-c3ccccc3)c2)n1)c1cccc(-c2[c-]cn(-c3ccccc3)n2)n1.[Pt+2]
InChIInChI=1S/C32H25N5.Pt/c1-32(2,30-17-9-15-27(33-30)24-19-21-36(23-24)25-11-5-3-6-12-25)31-18-10-16-28(34-31)29-20-22-37(35-29)26-13-7-4-8-14-26;/h3-18,21-23H,1-2H3;/q-2;+2
InChIKeyKXULVCDUBVEYBM-UHFFFAOYSA-N
XLogP6.71
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.67
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-4-[3-[2-[3-(1-phenylimidazol-4-yl)phenyl]propan-2-yl]phenyl]imidazole
CID 58831048
1-methyl-2-[6-[2-[6-(1-methyl-3H-indol-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-indol-3-ide;platinum(2+)
CID 140758633
2-phenyl-6-(2-pyridin-2-ylpropan-2-yl)pyridine
CID 58752837
2-[diphenyl-(1-phenylpyrrol-3-yl)methyl]-6-phenylpyridine
CID 140814904
2-[2-(2,4-difluorobenzene-6-id-1-yl)propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-(2-pyridin-2-ylpropan-2-yl)pyridine;platinum(2+)
CID 58752842
2-(1,2-diphenyl-4H-imidazol-4-id-5-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)
CID 59646056
2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[5-(3-methylbutan-2-yl)-1-phenylpyrazol-3-yl]propan-2-yl]pyridine;platinum(2+)
CID 154612378
6-isocyano-2-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide-5-carbonitrile;platinum(2+)
CID 59399810
1-(3-phenylphenyl)-3-[2-[1-(3-phenylphenyl)pyrazol-3-yl]propan-2-yl]pyrazole
CID 59816887
2-[3-(1-methyl-2-phenylimidazol-4-yl)pentan-3-yl]-6-phenylpyridine;platinum(2+)
CID 153483659
2-[3-(2,2-dimethylpropyl)-1,2,4-triazol-1-yl]-6-[2-[6-[3-(2,2-dimethylpropyl)-1,2,4-triazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine
CID 58161891
chloroplatinum(1+);2-(1-methylimidazol-2-yl)-6-(2-phenylpropan-2-yl)pyridine
CID 140804372

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenyl-4H-pyrazol-4-id-3-yl)-6-[2-[6-(1-phenyl-3H-pyrrol-3-id-4-yl)-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)?
The IUPAC name of 2-(1-phenyl-4H-pyrazol-4-id-3-yl)-6-[2-[6-(1-phenyl-3H-pyrrol-3-id-4-yl)-2-pyridinyl]propan-2-yl]pyridine;platinum(2+) (CID 140837726) is 2-(1-phenyl-4H-pyrazol-4-id-3-yl)-6-[2-[6-(1-phenyl-3H-pyrrol-3-id-4-yl)-2-pyridinyl]propan-2-yl]pyridine;platinum(2+).
What is the SMILES notation for 2-(1-phenyl-4H-pyrazol-4-id-3-yl)-6-[2-[6-(1-phenyl-3H-pyrrol-3-id-4-yl)-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)?
The canonical SMILES for 2-(1-phenyl-4H-pyrazol-4-id-3-yl)-6-[2-[6-(1-phenyl-3H-pyrrol-3-id-4-yl)-2-pyridinyl]propan-2-yl]pyridine;platinum(2+) is CC(C)(c1cccc(-c2[c-]cn(-c3ccccc3)c2)n1)c1cccc(-c2[c-]cn(-c3ccccc3)n2)n1.[Pt+2].
What is the InChIKey of 2-(1-phenyl-4H-pyrazol-4-id-3-yl)-6-[2-[6-(1-phenyl-3H-pyrrol-3-id-4-yl)-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)?
The InChIKey is KXULVCDUBVEYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N5.Pt/c1-32(2,30-17-9-15-27(33-30)24-19-21-36(23-24)25-11-5-3-6-12-25)31-18-10-16-28(34-31)29-20-22-37(35-29)26-13-7-4-8-14-26;/h3-18,21-23H,1-2H3;/q-2;+2.
What are the key properties of 2-(1-phenyl-4H-pyrazol-4-id-3-yl)-6-[2-[6-(1-phenyl-3H-pyrrol-3-id-4-yl)-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)?
2-(1-phenyl-4H-pyrazol-4-id-3-yl)-6-[2-[6-(1-phenyl-3H-pyrrol-3-id-4-yl)-2-pyridinyl]propan-2-yl]pyridine;platinum(2+) has a molecular weight of 674.67 g/mol, XLogP of 6.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenyl-4H-pyrazol-4-id-3-yl)-6-[2-[6-(1-phenyl-3H-pyrrol-3-id-4-yl)-2-pyridinyl]propan-2-yl]pyridine;platinum(2+) is sourced from PubChem (CID 140837726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).