4-[4-phenyl-6-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)benzene-2-id-1-yl]-2-pyridinyl]dibenzofuran-3-ol;platinum

C42H26N3O2Pt- — CID 169318109

IUPAC4-[4-phenyl-6-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)benzene-2-id-1-yl]-2-pyridinyl]dibenzofuran-3-ol;platinum
SMILESOc1ccc2c(oc3ccccc32)c1-c1cc(-c2ccccc2)cc(-c2[c-]c(-c3nc4ccccn4c3-c3ccccc3)ccc2)n1.[Pt]
InChIInChI=1S/C42H26N3O2.Pt/c46-36-22-21-33-32-18-7-8-19-37(32)47-42(33)39(36)35-26-31(27-12-3-1-4-13-27)25-34(43-35)29-16-11-17-30(24-29)40-41(28-14-5-2-6-15-28)45-23-10-9-20-38(45)44-40;/h1-23,25-26,46H;/q-1;
InChIKeyBVKPRWISMYPWFU-UHFFFAOYSA-N
MW799.77 g/mol
LogP10.47
Rot. Bonds5

About 4-[4-phenyl-6-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)benzene-2-id-1-yl]-2-pyridinyl]dibenzofuran-3-ol;platinum

4-[4-phenyl-6-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)benzene-2-id-1-yl]-2-pyridinyl]dibenzofuran-3-ol;platinum (PubChem CID 169318109) has the molecular formula C42H26N3O2Pt- and a molecular weight of 799.77 g/mol. Its IUPAC name is 4-[4-phenyl-6-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)benzene-2-id-1-yl]-2-pyridinyl]dibenzofuran-3-ol;platinum.

Molecular Properties

Compound Name4-[4-phenyl-6-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)benzene-2-id-1-yl]-2-pyridinyl]dibenzofuran-3-ol;platinum
PubChem CID169318109
Molecular FormulaC42H26N3O2Pt-
Molecular Weight799.77 g/mol
Exact Mass799.17
IUPAC Name4-[4-phenyl-6-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)benzene-2-id-1-yl]-2-pyridinyl]dibenzofuran-3-ol;platinum
SMILESOc1ccc2c(oc3ccccc32)c1-c1cc(-c2ccccc2)cc(-c2[c-]c(-c3nc4ccccn4c3-c3ccccc3)ccc2)n1.[Pt]
InChIInChI=1S/C42H26N3O2.Pt/c46-36-22-21-33-32-18-7-8-19-37(32)47-42(33)39(36)35-26-31(27-12-3-1-4-13-27)25-34(43-35)29-16-11-17-30(24-29)40-41(28-14-5-2-6-15-28)45-23-10-9-20-38(45)44-40;/h1-23,25-26,46H;/q-1;
InChIKeyBVKPRWISMYPWFU-UHFFFAOYSA-N
XLogP10.47
TPSA63.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.77
LogP ≤ 510.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[6-[3-[3-(9,9-dimethylfluoren-2-yl)imidazo[1,2-a]pyridin-2-yl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum
CID 169318258
2-[6-[3-[6-methyl-4-[3-(6-phenyldibenzofuran-3-yl)-1-benzofuran-2-yl]-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum
CID 170524468
2-[4-phenyl-6-[2-(3-phenylimidazo[2,1-a]isoquinolin-2-yl)-3H-dibenzofuran-3-id-4-yl]-2-pyridinyl]phenol;platinum
CID 169318153
2-(4-phenylphenyl)-3-[3-[4-phenyl-6-[3-[2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-2-pyridinyl]phenyl]imidazo[1,2-a]pyridine
CID 164781069
3-phenyl-2-[4-phenyl-6-[4-phenyl-6-[4-phenyl-6-(3-phenylimidazo[1,2-a]pyridin-2-yl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]imidazo[1,2-a]pyridine
CID 155307009
5-phenyl-2-[4-phenyl-6-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]phenol
CID 169318160
2-[4-phenyl-6-[2-(3-phenyl-7-propan-2-ylimidazo[1,2-a]pyrimidin-2-yl)-3H-dibenzofuran-3-id-4-yl]-2-pyridinyl]phenol;platinum
CID 169318038
2-[4-(2-methylphenyl)-6-[2-(3-phenylimidazo[2,1-a]isoquinolin-2-yl)-3H-dibenzofuran-3-id-4-yl]-2-pyridinyl]phenol;platinum
CID 169318232
3-phenyl-2-[4-phenyl-6-[2-phenyl-6-[4-phenyl-6-(3-phenylimidazo[1,2-a]pyridin-2-yl)-2-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]imidazo[1,2-a]pyridine
CID 164780995
2-[4-(2,6-dimethylphenyl)-6-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]-5-phenylphenol
CID 169318249
2-[6-[3-[4-(3-dibenzofuran-3-yl-2-benzothiophen-1-yl)-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]-5-phenylphenol;platinum
CID 170524311
2-[4-phenyl-6-[2-(3-phenylimidazo[2,1-a]isoquinolin-2-yl)dibenzofuran-4-yl]-2-pyridinyl]phenol
CID 169318154

Frequently Asked Questions

What is the IUPAC name of 4-[4-phenyl-6-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)benzene-2-id-1-yl]-2-pyridinyl]dibenzofuran-3-ol;platinum?
The IUPAC name of 4-[4-phenyl-6-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)benzene-2-id-1-yl]-2-pyridinyl]dibenzofuran-3-ol;platinum (CID 169318109) is 4-[4-phenyl-6-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)benzene-2-id-1-yl]-2-pyridinyl]dibenzofuran-3-ol;platinum.
What is the SMILES notation for 4-[4-phenyl-6-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)benzene-2-id-1-yl]-2-pyridinyl]dibenzofuran-3-ol;platinum?
The canonical SMILES for 4-[4-phenyl-6-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)benzene-2-id-1-yl]-2-pyridinyl]dibenzofuran-3-ol;platinum is Oc1ccc2c(oc3ccccc32)c1-c1cc(-c2ccccc2)cc(-c2[c-]c(-c3nc4ccccn4c3-c3ccccc3)ccc2)n1.[Pt].
What is the InChIKey of 4-[4-phenyl-6-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)benzene-2-id-1-yl]-2-pyridinyl]dibenzofuran-3-ol;platinum?
The InChIKey is BVKPRWISMYPWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N3O2.Pt/c46-36-22-21-33-32-18-7-8-19-37(32)47-42(33)39(36)35-26-31(27-12-3-1-4-13-27)25-34(43-35)29-16-11-17-30(24-29)40-41(28-14-5-2-6-15-28)45-23-10-9-20-38(45)44-40;/h1-23,25-26,46H;/q-1;.
What are the key properties of 4-[4-phenyl-6-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)benzene-2-id-1-yl]-2-pyridinyl]dibenzofuran-3-ol;platinum?
4-[4-phenyl-6-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)benzene-2-id-1-yl]-2-pyridinyl]dibenzofuran-3-ol;platinum has a molecular weight of 799.77 g/mol, XLogP of 10.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-phenyl-6-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)benzene-2-id-1-yl]-2-pyridinyl]dibenzofuran-3-ol;platinum is sourced from PubChem (CID 169318109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).