9,9-dimethyl-10-phenyl-3-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-4H-acridin-4-ide;platinum(2+)

C31H23N3PtS — CID 153423536

IUPAC9,9-dimethyl-10-phenyl-3-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-4H-acridin-4-ide;platinum(2+)
SMILESCC1(C)c2ccc(-c3cccc(Sc4ccccn4)n3)[c-]c2N(c2[c-]cccc2)c2ccccc21.[Pt+2]
InChIInChI=1S/C31H23N3S.Pt/c1-31(2)24-13-6-7-15-27(24)34(23-11-4-3-5-12-23)28-21-22(18-19-25(28)31)26-14-10-17-30(33-26)35-29-16-8-9-20-32-29;/h3-11,13-20H,1-2H3;/q-2;+2
InChIKeyQDAMHWRTTJHVEY-UHFFFAOYSA-N
MW664.69 g/mol
LogP8.00
Rot. Bonds4

About 9,9-dimethyl-10-phenyl-3-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-4H-acridin-4-ide;platinum(2+)

9,9-dimethyl-10-phenyl-3-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-4H-acridin-4-ide;platinum(2+) (PubChem CID 153423536) has the molecular formula C31H23N3PtS and a molecular weight of 664.69 g/mol. Its IUPAC name is 9,9-dimethyl-10-phenyl-3-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-4H-acridin-4-ide;platinum(2+).

Molecular Properties

Compound Name9,9-dimethyl-10-phenyl-3-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-4H-acridin-4-ide;platinum(2+)
PubChem CID153423536
Molecular FormulaC31H23N3PtS
Molecular Weight664.69 g/mol
Exact Mass664.13
IUPAC Name9,9-dimethyl-10-phenyl-3-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-4H-acridin-4-ide;platinum(2+)
SMILESCC1(C)c2ccc(-c3cccc(Sc4ccccn4)n3)[c-]c2N(c2[c-]cccc2)c2ccccc21.[Pt+2]
InChIInChI=1S/C31H23N3S.Pt/c1-31(2)24-13-6-7-15-27(24)34(23-11-4-3-5-12-23)28-21-22(18-19-25(28)31)26-14-10-17-30(33-26)35-29-16-8-9-20-32-29;/h3-11,13-20H,1-2H3;/q-2;+2
InChIKeyQDAMHWRTTJHVEY-UHFFFAOYSA-N
XLogP8.00
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.69
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9,9-dimethyl-10-phenyl-3-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-4H-acridin-4-ide;platinum(2+) with MolForge

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Launch Full Analysis

Related Compounds

2-(3-phenylbenzene-2-id-1-yl)-6-pyridin-2-ylsulfanylpyridine;platinum(2+)
CID 58871037
9,9-dimethyl-10-phenyl-3-[3-(2-pyridin-2-ylpropan-2-yl)-2H-imidazol-2-id-1-yl]-4H-acridin-4-ide;platinum
CID 153445094
9,9-dimethyl-10-pyridin-2-yl-3-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-4H-acridin-4-ide;platinum(2+)
CID 167377749
2-(9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-id-3-yl)-5-phenylquinolin-8-ol;platinum
CID 171580341
platinum(2+);8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine
CID 154595157
7-(dimethylamino)-2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-4H-acridin-4-id-3-yl]quinolin-8-ol;platinum
CID 171579755
2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-7-(N-phenylanilino)quinolin-8-ol;platinum
CID 171579988
7-(4-tert-butylphenyl)-2-(9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-id-3-yl)-5-propan-2-ylquinolin-8-ol;platinum
CID 171579713
2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-1,6-naphthyridin-8-ol;platinum
CID 171580040
2-[9,9-dimethyl-10-(4-methyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-5-(trifluoromethyl)quinolin-8-ol;platinum
CID 171580331
2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-4H-acridin-4-id-3-yl]-5-propan-2-ylquinolin-8-ol;platinum
CID 171579724
3-(2-carbazol-9-id-1-yl-1-dibenzofuran-4-ylbenzimidazol-4-yl)-9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-ide;platinum(2+)
CID 176642861

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-10-phenyl-3-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-4H-acridin-4-ide;platinum(2+)?
The IUPAC name of 9,9-dimethyl-10-phenyl-3-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-4H-acridin-4-ide;platinum(2+) (CID 153423536) is 9,9-dimethyl-10-phenyl-3-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-4H-acridin-4-ide;platinum(2+).
What is the SMILES notation for 9,9-dimethyl-10-phenyl-3-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-4H-acridin-4-ide;platinum(2+)?
The canonical SMILES for 9,9-dimethyl-10-phenyl-3-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-4H-acridin-4-ide;platinum(2+) is CC1(C)c2ccc(-c3cccc(Sc4ccccn4)n3)[c-]c2N(c2[c-]cccc2)c2ccccc21.[Pt+2].
What is the InChIKey of 9,9-dimethyl-10-phenyl-3-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-4H-acridin-4-ide;platinum(2+)?
The InChIKey is QDAMHWRTTJHVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N3S.Pt/c1-31(2)24-13-6-7-15-27(24)34(23-11-4-3-5-12-23)28-21-22(18-19-25(28)31)26-14-10-17-30(33-26)35-29-16-8-9-20-32-29;/h3-11,13-20H,1-2H3;/q-2;+2.
What are the key properties of 9,9-dimethyl-10-phenyl-3-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-4H-acridin-4-ide;platinum(2+)?
9,9-dimethyl-10-phenyl-3-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-4H-acridin-4-ide;platinum(2+) has a molecular weight of 664.69 g/mol, XLogP of 8.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-10-phenyl-3-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-4H-acridin-4-ide;platinum(2+) is sourced from PubChem (CID 153423536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).