2-[4-tert-butyl-6-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-tert-butyl-6-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum

C176H148N8O6Pt4S2-4 — CID 157167333

IUPAC2-[4-tert-butyl-6-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-tert-butyl-6-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2[c-]c(C3(c4ccccn4)c4ccccc4Oc4ccccc43)ccc2)nc(-c2ccccc2O)c1.CC(C)(C)c1cc(-c2[c-]c(C3(c4ccccn4)c4ccccc4Sc4ccccc43)ccc2)nc(-c2ccccc2O)c1.CC(C)(C)c1cc(-c2cc(-c3[c-]c(C4(c5ccccn5)c5ccccc5Oc5ccccc54)ccc3)nc(-c3ccccc3O)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc(-c3[c-]c(C4(c5ccccn5)c5ccccc5Sc5ccccc54)ccc3)nc(-c3ccccc3O)c2)cc(C(C)(C)C)c1.[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C49H43N2O2.C49H43N2OS.C39H31N2O2.C39H31N2OS.4Pt/c2*1-47(2,3)36-27-33(28-37(31-36)48(4,5)6)34-29-41(51-42(30-34)38-18-7-10-21-43(38)52)32-16-15-17-35(26-32)49(46-24-13-14-25-50-46)39-19-8-11-22-44(39)53-45-23-12-9-20-40(45)49;2*1-38(2,3)28-24-32(41-33(25-28)29-15-4-7-18-34(29)42)26-13-12-14-27(23-26)39(37-21-10-11-22-40-37)30-16-5-8-19-35(30)43-36-20-9-6-17-31(36)39;;;;/h2*7-25,27-31,52H,1-6H3;2*4-22,24-25,42H,1-3H3;;;;/q4*-1;;;;
InChIKeyDHNROUUTXACECR-UHFFFAOYSA-N
MW3315.62 g/mol
LogP43.05
Rot. Bonds18

About 2-[4-tert-butyl-6-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-tert-butyl-6-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum

2-[4-tert-butyl-6-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-tert-butyl-6-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum (PubChem CID 157167333) has the molecular formula C176H148N8O6Pt4S2-4 and a molecular weight of 3315.62 g/mol. Its IUPAC name is 2-[4-tert-butyl-6-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-tert-butyl-6-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum.

Molecular Properties

Compound Name2-[4-tert-butyl-6-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-tert-butyl-6-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
PubChem CID157167333
Molecular FormulaC176H148N8O6Pt4S2-4
Molecular Weight3315.62 g/mol
Exact Mass3312.96
IUPAC Name2-[4-tert-butyl-6-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-tert-butyl-6-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2[c-]c(C3(c4ccccn4)c4ccccc4Oc4ccccc43)ccc2)nc(-c2ccccc2O)c1.CC(C)(C)c1cc(-c2[c-]c(C3(c4ccccn4)c4ccccc4Sc4ccccc43)ccc2)nc(-c2ccccc2O)c1.CC(C)(C)c1cc(-c2cc(-c3[c-]c(C4(c5ccccn5)c5ccccc5Oc5ccccc54)ccc3)nc(-c3ccccc3O)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc(-c3[c-]c(C4(c5ccccn5)c5ccccc5Sc5ccccc54)ccc3)nc(-c3ccccc3O)c2)cc(C(C)(C)C)c1.[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C49H43N2O2.C49H43N2OS.C39H31N2O2.C39H31N2OS.4Pt/c2*1-47(2,3)36-27-33(28-37(31-36)48(4,5)6)34-29-41(51-42(30-34)38-18-7-10-21-43(38)52)32-16-15-17-35(26-32)49(46-24-13-14-25-50-46)39-19-8-11-22-44(39)53-45-23-12-9-20-40(45)49;2*1-38(2,3)28-24-32(41-33(25-28)29-15-4-7-18-34(29)42)26-13-12-14-27(23-26)39(37-21-10-11-22-40-37)30-16-5-8-19-35(30)43-36-20-9-6-17-31(36)39;;;;/h2*7-25,27-31,52H,1-6H3;2*4-22,24-25,42H,1-3H3;;;;/q4*-1;;;;
InChIKeyDHNROUUTXACECR-UHFFFAOYSA-N
XLogP43.05
TPSA202.50 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms196
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003315.62
LogP ≤ 543.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2-[4-tert-butyl-6-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-tert-butyl-6-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-tert-butyl-6-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-tert-butyl-6-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?
The IUPAC name of 2-[4-tert-butyl-6-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-tert-butyl-6-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum (CID 157167333) is 2-[4-tert-butyl-6-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-tert-butyl-6-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum.
What is the SMILES notation for 2-[4-tert-butyl-6-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-tert-butyl-6-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?
The canonical SMILES for 2-[4-tert-butyl-6-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-tert-butyl-6-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum is CC(C)(C)c1cc(-c2[c-]c(C3(c4ccccn4)c4ccccc4Oc4ccccc43)ccc2)nc(-c2ccccc2O)c1.CC(C)(C)c1cc(-c2[c-]c(C3(c4ccccn4)c4ccccc4Sc4ccccc43)ccc2)nc(-c2ccccc2O)c1.CC(C)(C)c1cc(-c2cc(-c3[c-]c(C4(c5ccccn5)c5ccccc5Oc5ccccc54)ccc3)nc(-c3ccccc3O)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc(-c3[c-]c(C4(c5ccccn5)c5ccccc5Sc5ccccc54)ccc3)nc(-c3ccccc3O)c2)cc(C(C)(C)C)c1.[Pt].[Pt].[Pt].[Pt].
What is the InChIKey of 2-[4-tert-butyl-6-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-tert-butyl-6-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?
The InChIKey is DHNROUUTXACECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H43N2O2.C49H43N2OS.C39H31N2O2.C39H31N2OS.4Pt/c2*1-47(2,3)36-27-33(28-37(31-36)48(4,5)6)34-29-41(51-42(30-34)38-18-7-10-21-43(38)52)32-16-15-17-35(26-32)49(46-24-13-14-25-50-46)39-19-8-11-22-44(39)53-45-23-12-9-20-40(45)49;2*1-38(2,3)28-24-32(41-33(25-28)29-15-4-7-18-34(29)42)26-13-12-14-27(23-26)39(37-21-10-11-22-40-37)30-16-5-8-19-35(30)43-36-20-9-6-17-31(36)39;;;;/h2*7-25,27-31,52H,1-6H3;2*4-22,24-25,42H,1-3H3;;;;/q4*-1;;;;.
What are the key properties of 2-[4-tert-butyl-6-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-tert-butyl-6-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?
2-[4-tert-butyl-6-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-tert-butyl-6-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum has a molecular weight of 3315.62 g/mol, XLogP of 43.05, 18 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-tert-butyl-6-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-tert-butyl-6-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum is sourced from PubChem (CID 157167333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).