2-[5-benzyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]-4-phenylphenol;platinum

C37H25N2O2Pt- — CID 164742542

IUPAC2-[5-benzyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]-4-phenylphenol;platinum
SMILESOc1ccc(-c2ccccc2)cc1-c1nc2c(-c3[c-]c(-c4ccccn4)ccc3)c(Cc3ccccc3)ccc2o1.[Pt]
InChIInChI=1S/C37H25N2O2.Pt/c40-33-19-17-27(26-12-5-2-6-13-26)24-31(33)37-39-36-34(41-37)20-18-30(22-25-10-3-1-4-11-25)35(36)29-15-9-14-28(23-29)32-16-7-8-21-38-32;/h1-21,24,40H,22H2;/q-1;
InChIKeyCVTPKMXOGDSLMR-UHFFFAOYSA-N
MW724.70 g/mol
LogP8.98
Rot. Bonds6

About 2-[5-benzyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]-4-phenylphenol;platinum

2-[5-benzyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]-4-phenylphenol;platinum (PubChem CID 164742542) has the molecular formula C37H25N2O2Pt- and a molecular weight of 724.70 g/mol. Its IUPAC name is 2-[5-benzyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]-4-phenylphenol;platinum.

Molecular Properties

Compound Name2-[5-benzyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]-4-phenylphenol;platinum
PubChem CID164742542
Molecular FormulaC37H25N2O2Pt-
Molecular Weight724.70 g/mol
Exact Mass724.16
IUPAC Name2-[5-benzyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]-4-phenylphenol;platinum
SMILESOc1ccc(-c2ccccc2)cc1-c1nc2c(-c3[c-]c(-c4ccccn4)ccc3)c(Cc3ccccc3)ccc2o1.[Pt]
InChIInChI=1S/C37H25N2O2.Pt/c40-33-19-17-27(26-12-5-2-6-13-26)24-31(33)37-39-36-34(41-37)20-18-30(22-25-10-3-1-4-11-25)35(36)29-15-9-14-28(23-29)32-16-7-8-21-38-32;/h1-21,24,40H,22H2;/q-1;
InChIKeyCVTPKMXOGDSLMR-UHFFFAOYSA-N
XLogP8.98
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.70
LogP ≤ 58.98
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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Related Compounds

3-benzyl-2-[4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;platinum
CID 164742887
2-[7-benzyl-4-(3-pyridin-2-ylphenyl)-1,3-benzoxazol-2-yl]phenol
CID 164742910
2-[4-[2-(1-phenylethyl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum
CID 164743199
4-tert-butyl-2-[4-[3-[6-tert-butyl-4-(4-tert-butylphenyl)quinolin-8-yl]benzene-2-id-1-yl]-6-phenyl-1,3-benzoxazol-2-yl]phenol;platinum
CID 177110611
2-[4-[3-[4-(1-phenylethyl)-2-pyridinyl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum
CID 164742269
2-[4-[3-(6-tert-butylquinolin-8-yl)-5-pyridin-2-ylbenzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum
CID 177110792
2-[4-[2-(1-phenylethyl)-5-pyridin-2-ylphenyl]-1,3-benzoxazol-2-yl]phenol
CID 164743200
4-(3-benzylphenyl)-2-[4-[2-[4-(4-fluorophenyl)-2-pyridinyl]-3H-dibenzofuran-3-id-4-yl]-1-methylbenzimidazol-2-yl]phenol;platinum
CID 164742165
5-phenyl-2-pyridin-2-yl-1,3-benzoxazole
CID 132598032
2-[4-[3-(2-phenylpropan-2-yl)-5-pyridin-2-ylphenyl]-1,3-benzoxazol-2-yl]phenol
CID 164742615
4-benzyl-2-pyridin-2-ylphenol
CID 141478929
2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]-3-(1-phenylethyl)phenol;platinum
CID 164742819

Frequently Asked Questions

What is the IUPAC name of 2-[5-benzyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]-4-phenylphenol;platinum?
The IUPAC name of 2-[5-benzyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]-4-phenylphenol;platinum (CID 164742542) is 2-[5-benzyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]-4-phenylphenol;platinum.
What is the SMILES notation for 2-[5-benzyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]-4-phenylphenol;platinum?
The canonical SMILES for 2-[5-benzyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]-4-phenylphenol;platinum is Oc1ccc(-c2ccccc2)cc1-c1nc2c(-c3[c-]c(-c4ccccn4)ccc3)c(Cc3ccccc3)ccc2o1.[Pt].
What is the InChIKey of 2-[5-benzyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]-4-phenylphenol;platinum?
The InChIKey is CVTPKMXOGDSLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25N2O2.Pt/c40-33-19-17-27(26-12-5-2-6-13-26)24-31(33)37-39-36-34(41-37)20-18-30(22-25-10-3-1-4-11-25)35(36)29-15-9-14-28(23-29)32-16-7-8-21-38-32;/h1-21,24,40H,22H2;/q-1;.
What are the key properties of 2-[5-benzyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]-4-phenylphenol;platinum?
2-[5-benzyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]-4-phenylphenol;platinum has a molecular weight of 724.70 g/mol, XLogP of 8.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-benzyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]-4-phenylphenol;platinum is sourced from PubChem (CID 164742542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).