9-[3-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]-10-phenyl-9-pyridin-2-ylacridine;platinum(2+)

C41H25F2N3OPt — CID 162461991

IUPAC9-[3-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]-10-phenyl-9-pyridin-2-ylacridine;platinum(2+)
SMILESFc1cc(F)c(-c2ccccn2)[c-]c1Oc1[c-]c(C2(c3ccccn3)c3ccccc3N(c3ccccc3)c3ccccc32)ccc1.[Pt+2]
InChIInChI=1S/C41H25F2N3O.Pt/c42-34-27-35(43)39(26-31(34)36-19-8-10-23-44-36)47-30-16-12-13-28(25-30)41(40-22-9-11-24-45-40)32-17-4-6-20-37(32)46(29-14-2-1-3-15-29)38-21-7-5-18-33(38)41;/h1-24,27H;/q-2;+2
InChIKeyXWCRVJABVMKKQS-UHFFFAOYSA-N
MW808.75 g/mol
LogP9.98
Rot. Bonds6

About 9-[3-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]-10-phenyl-9-pyridin-2-ylacridine;platinum(2+)

9-[3-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]-10-phenyl-9-pyridin-2-ylacridine;platinum(2+) (PubChem CID 162461991) has the molecular formula C41H25F2N3OPt and a molecular weight of 808.75 g/mol. Its IUPAC name is 9-[3-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]-10-phenyl-9-pyridin-2-ylacridine;platinum(2+).

Molecular Properties

Compound Name9-[3-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]-10-phenyl-9-pyridin-2-ylacridine;platinum(2+)
PubChem CID162461991
Molecular FormulaC41H25F2N3OPt
Molecular Weight808.75 g/mol
Exact Mass808.16
IUPAC Name9-[3-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]-10-phenyl-9-pyridin-2-ylacridine;platinum(2+)
SMILESFc1cc(F)c(-c2ccccn2)[c-]c1Oc1[c-]c(C2(c3ccccn3)c3ccccc3N(c3ccccc3)c3ccccc32)ccc1.[Pt+2]
InChIInChI=1S/C41H25F2N3O.Pt/c42-34-27-35(43)39(26-31(34)36-19-8-10-23-44-36)47-30-16-12-13-28(25-30)41(40-22-9-11-24-45-40)32-17-4-6-20-37(32)46(29-14-2-1-3-15-29)38-21-7-5-18-33(38)41;/h1-24,27H;/q-2;+2
InChIKeyXWCRVJABVMKKQS-UHFFFAOYSA-N
XLogP9.98
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.75
LogP ≤ 59.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9-[3-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]-10-phenyl-9-pyridin-2-ylacridine;platinum(2+) with MolForge

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Related Compounds

9-[3-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-10-phenyl-9-pyridin-2-ylacridine;platinum(2+)
CID 162461744
9-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-10-phenyl-9-pyridin-2-ylacridine;platinum(2+)
CID 162461729
10-phenyl-9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-pyridin-2-ylacridine;platinum(2+)
CID 162461925
10-phenyl-9,9-dipyridin-2-ylacridine
CID 58029185
2-[9-[3-[3-(4-phenyltriazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum(2+)
CID 162461919
platinum(2+);2-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-thiophen-3-id-4-yl]pyridine
CID 162461918
2-[9-[3-[3-(4-phenyltriazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]thioxanthen-9-yl]pyridine;platinum(2+)
CID 162461716
N,N-diphenyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridin-4-amine;platinum(2+)
CID 162461710
1-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-[3-tert-butyl-5-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-2H-benzimidazol-2-ide;platinum
CID 155651427
N,N-dimethyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridin-4-amine;platinum(2+)
CID 162461898
2-[9-[3-[3-(2,6-dimethylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]oxybenzene-2-id-1-yl]thioxanthen-9-yl]pyridine;platinum(2+)
CID 162461805
9-[3-[5-[(1R,7S)-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-2,4-difluorophenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine
CID 158527534

Frequently Asked Questions

What is the IUPAC name of 9-[3-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]-10-phenyl-9-pyridin-2-ylacridine;platinum(2+)?
The IUPAC name of 9-[3-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]-10-phenyl-9-pyridin-2-ylacridine;platinum(2+) (CID 162461991) is 9-[3-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]-10-phenyl-9-pyridin-2-ylacridine;platinum(2+).
What is the SMILES notation for 9-[3-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]-10-phenyl-9-pyridin-2-ylacridine;platinum(2+)?
The canonical SMILES for 9-[3-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]-10-phenyl-9-pyridin-2-ylacridine;platinum(2+) is Fc1cc(F)c(-c2ccccn2)[c-]c1Oc1[c-]c(C2(c3ccccn3)c3ccccc3N(c3ccccc3)c3ccccc32)ccc1.[Pt+2].
What is the InChIKey of 9-[3-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]-10-phenyl-9-pyridin-2-ylacridine;platinum(2+)?
The InChIKey is XWCRVJABVMKKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25F2N3O.Pt/c42-34-27-35(43)39(26-31(34)36-19-8-10-23-44-36)47-30-16-12-13-28(25-30)41(40-22-9-11-24-45-40)32-17-4-6-20-37(32)46(29-14-2-1-3-15-29)38-21-7-5-18-33(38)41;/h1-24,27H;/q-2;+2.
What are the key properties of 9-[3-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]-10-phenyl-9-pyridin-2-ylacridine;platinum(2+)?
9-[3-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]-10-phenyl-9-pyridin-2-ylacridine;platinum(2+) has a molecular weight of 808.75 g/mol, XLogP of 9.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]-10-phenyl-9-pyridin-2-ylacridine;platinum(2+) is sourced from PubChem (CID 162461991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).