2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-8-hydroxyquinoline-5-carbonitrile;platinum

C33H27N4OPt- — CID 171580065

IUPAC2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-8-hydroxyquinoline-5-carbonitrile;platinum
SMILESCC(C)c1ccnc(N2c3[c-]c(-c4ccc5c(C#N)ccc(O)c5n4)ccc3C(C)(C)c3ccccc32)c1.[Pt]
InChIInChI=1S/C33H27N4O.Pt/c1-20(2)21-15-16-35-31(18-21)37-28-8-6-5-7-25(28)33(3,4)26-12-9-22(17-29(26)37)27-13-11-24-23(19-34)10-14-30(38)32(24)36-27;/h5-16,18,20,38H,1-4H3;/q-1;
InChIKeyDBNSQXSXCLLHPQ-UHFFFAOYSA-N
MW690.68 g/mol
LogP7.90
Rot. Bonds3

About 2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-8-hydroxyquinoline-5-carbonitrile;platinum

2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-8-hydroxyquinoline-5-carbonitrile;platinum (PubChem CID 171580065) has the molecular formula C33H27N4OPt- and a molecular weight of 690.68 g/mol. Its IUPAC name is 2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-8-hydroxyquinoline-5-carbonitrile;platinum.

Molecular Properties

Compound Name2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-8-hydroxyquinoline-5-carbonitrile;platinum
PubChem CID171580065
Molecular FormulaC33H27N4OPt-
Molecular Weight690.68 g/mol
Exact Mass690.18
IUPAC Name2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-8-hydroxyquinoline-5-carbonitrile;platinum
SMILESCC(C)c1ccnc(N2c3[c-]c(-c4ccc5c(C#N)ccc(O)c5n4)ccc3C(C)(C)c3ccccc32)c1.[Pt]
InChIInChI=1S/C33H27N4O.Pt/c1-20(2)21-15-16-35-31(18-21)37-28-8-6-5-7-25(28)33(3,4)26-12-9-22(17-29(26)37)27-13-11-24-23(19-34)10-14-30(38)32(24)36-27;/h5-16,18,20,38H,1-4H3;/q-1;
InChIKeyDBNSQXSXCLLHPQ-UHFFFAOYSA-N
XLogP7.90
TPSA73.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.68
LogP ≤ 57.90
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-[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-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-7-phenylquinolin-8-ol;platinum
CID 171580032
2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-7-(trifluoromethyl)quinolin-8-ol;platinum
CID 171579886
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-methyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-5-(N-phenylanilino)quinolin-8-ol;platinum
CID 171579771
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
2-(9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-id-3-yl)-5-phenylquinolin-8-ol;platinum
CID 171580341
5-(dimethylamino)-2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)acridin-3-yl]quinolin-8-ol
CID 171579788
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-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-8-hydroxyquinoline-4-carbonitrile
CID 171579963
2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-5-(2-phenylethynyl)quinolin-8-ol
CID 171580421
2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-7-(N-phenylanilino)quinolin-8-ol;platinum
CID 171579988

Frequently Asked Questions

What is the IUPAC name of 2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-8-hydroxyquinoline-5-carbonitrile;platinum?
The IUPAC name of 2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-8-hydroxyquinoline-5-carbonitrile;platinum (CID 171580065) is 2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-8-hydroxyquinoline-5-carbonitrile;platinum.
What is the SMILES notation for 2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-8-hydroxyquinoline-5-carbonitrile;platinum?
The canonical SMILES for 2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-8-hydroxyquinoline-5-carbonitrile;platinum is CC(C)c1ccnc(N2c3[c-]c(-c4ccc5c(C#N)ccc(O)c5n4)ccc3C(C)(C)c3ccccc32)c1.[Pt].
What is the InChIKey of 2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-8-hydroxyquinoline-5-carbonitrile;platinum?
The InChIKey is DBNSQXSXCLLHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27N4O.Pt/c1-20(2)21-15-16-35-31(18-21)37-28-8-6-5-7-25(28)33(3,4)26-12-9-22(17-29(26)37)27-13-11-24-23(19-34)10-14-30(38)32(24)36-27;/h5-16,18,20,38H,1-4H3;/q-1;.
What are the key properties of 2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-8-hydroxyquinoline-5-carbonitrile;platinum?
2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-8-hydroxyquinoline-5-carbonitrile;platinum has a molecular weight of 690.68 g/mol, XLogP of 7.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-8-hydroxyquinoline-5-carbonitrile;platinum is sourced from PubChem (CID 171580065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).