platinum(2+);15-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-12-(trifluoromethyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene

C33H17F3N2OPtS — CID 164939696

IUPACplatinum(2+);15-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-12-(trifluoromethyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
SMILESFC(F)(F)c1cnc(-c2[c-]c(Oc3[c-]c(-c4ccccn4)ccc3)ccc2)c2sc3c4ccccc4ccc3c12.[Pt+2]
InChIInChI=1S/C33H17F3N2OS.Pt/c34-33(35,36)27-19-38-30(32-29(27)26-15-14-20-7-1-2-12-25(20)31(26)40-32)22-9-6-11-24(18-22)39-23-10-5-8-21(17-23)28-13-3-4-16-37-28;/h1-16,19H;/q-2;+2
InChIKeyUPFYGDKUEGMDQD-UHFFFAOYSA-N
MW741.65 g/mol
LogP9.74
Rot. Bonds4

About platinum(2+);15-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-12-(trifluoromethyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene

platinum(2+);15-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-12-(trifluoromethyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene (PubChem CID 164939696) has the molecular formula C33H17F3N2OPtS and a molecular weight of 741.65 g/mol. Its IUPAC name is platinum(2+);15-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-12-(trifluoromethyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene.

Molecular Properties

Compound Nameplatinum(2+);15-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-12-(trifluoromethyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
PubChem CID164939696
Molecular FormulaC33H17F3N2OPtS
Molecular Weight741.65 g/mol
Exact Mass741.07
IUPAC Nameplatinum(2+);15-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-12-(trifluoromethyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
SMILESFC(F)(F)c1cnc(-c2[c-]c(Oc3[c-]c(-c4ccccn4)ccc3)ccc2)c2sc3c4ccccc4ccc3c12.[Pt+2]
InChIInChI=1S/C33H17F3N2OS.Pt/c34-33(35,36)27-19-38-30(32-29(27)26-15-14-20-7-1-2-12-25(20)31(26)40-32)22-9-6-11-24(18-22)39-23-10-5-8-21(17-23)28-13-3-4-16-37-28;/h1-16,19H;/q-2;+2
InChIKeyUPFYGDKUEGMDQD-UHFFFAOYSA-N
XLogP9.74
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.65
LogP ≤ 59.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze platinum(2+);15-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-12-(trifluoromethyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene with MolForge

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Related Compounds

1-(4-Tert-butylnaphthalen-2-yl)-7-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridine
CID 154599329
1-(4-Tert-butylnaphthalen-2-yl)-8-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridine
CID 157649644
1-(4-Tert-butyl-1-methylnaphthalen-2-yl)-7-[4,4-dimethyl-1-(trifluoromethyl)cyclohexyl]-2,8-dimethyl-[1]benzothiolo[2,3-c]pyridin-2-ium
CID 164783343
15-(3,5-Dimethylphenyl)-4,6-difluoro-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene
CID 164939699
15-(3,5-Dimethylphenyl)-4,6-bis(trifluoromethyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene
CID 164939766
3,3,4,4,6,6-Hexafluoro-5,5,14-trimethyl-15-(2,3,5-trimethylphenyl)-17-thia-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),8,11(16),12,14-hexaene
CID 165383594
15-(4-Tert-butyl-1-methylnaphthalen-2-yl)-3,3,4,4,5,5,6,6-octafluoro-14-methyl-17-thia-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),8,11(16),12,14-hexaene
CID 165383609
15-(4-Tert-butyl-1-methylnaphthalen-2-yl)-3,3,4,4,6,6-hexafluoro-5,5,14-trimethyl-17-thia-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),8,11(16),12,14-hexaene
CID 165383634
3,3,4,4,5,5,6,6-Octafluoro-14-methyl-15-(2,3,5-trimethylphenyl)-17-thia-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),8,11(16),12,14-hexaene
CID 165383689
1-(3,5-Dimethylphenyl)-7-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-8-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridine
CID 166519221
15-(4-Tert-butylnaphthalen-2-yl)-3,3,4,4,6,6-hexafluoro-5,5-dimethyl-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),8,11(16),12,14-hexaene
CID 167208386
7-(3,5-Dimethylphenyl)-2-[4-(2,2-dimethylpropyl)-2-(2-methoxyethenyl)phenyl]-4-(trifluoromethyl)thieno[2,3-c]pyridine;15-(3,5-dimethylphenyl)-5-(2,2-dimethylpropyl)-12-(trifluoromethyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene
CID 167609323

Frequently Asked Questions

What is the IUPAC name of platinum(2+);15-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-12-(trifluoromethyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The IUPAC name of platinum(2+);15-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-12-(trifluoromethyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene (CID 164939696) is platinum(2+);15-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-12-(trifluoromethyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene.
What is the SMILES notation for platinum(2+);15-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-12-(trifluoromethyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The canonical SMILES for platinum(2+);15-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-12-(trifluoromethyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene is FC(F)(F)c1cnc(-c2[c-]c(Oc3[c-]c(-c4ccccn4)ccc3)ccc2)c2sc3c4ccccc4ccc3c12.[Pt+2].
What is the InChIKey of platinum(2+);15-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-12-(trifluoromethyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The InChIKey is UPFYGDKUEGMDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H17F3N2OS.Pt/c34-33(35,36)27-19-38-30(32-29(27)26-15-14-20-7-1-2-12-25(20)31(26)40-32)22-9-6-11-24(18-22)39-23-10-5-8-21(17-23)28-13-3-4-16-37-28;/h1-16,19H;/q-2;+2.
What are the key properties of platinum(2+);15-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-12-(trifluoromethyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
platinum(2+);15-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-12-(trifluoromethyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene has a molecular weight of 741.65 g/mol, XLogP of 9.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for platinum(2+);15-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-12-(trifluoromethyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene is sourced from PubChem (CID 164939696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).