2-(9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-id-3-yl)-5-phenylquinolin-8-ol;platinum

C35H26N3OPt- — CID 171580341

IUPAC2-(9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-id-3-yl)-5-phenylquinolin-8-ol;platinum
SMILESCC1(C)c2ccc(-c3ccc4c(-c5ccccc5)ccc(O)c4n3)[c-]c2N(c2ccccn2)c2ccccc21.[Pt]
InChIInChI=1S/C35H26N3O.Pt/c1-35(2)27-12-6-7-13-30(27)38(33-14-8-9-21-36-33)31-22-24(15-18-28(31)35)29-19-16-26-25(23-10-4-3-5-11-23)17-20-32(39)34(26)37-29;/h3-21,39H,1-2H3;/q-1;
InChIKeyZMPSFXSSEBBLAZ-UHFFFAOYSA-N
MW699.69 g/mol
LogP8.58
Rot. Bonds3

About 2-(9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-id-3-yl)-5-phenylquinolin-8-ol;platinum

2-(9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-id-3-yl)-5-phenylquinolin-8-ol;platinum (PubChem CID 171580341) has the molecular formula C35H26N3OPt- and a molecular weight of 699.69 g/mol. Its IUPAC name is 2-(9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-id-3-yl)-5-phenylquinolin-8-ol;platinum.

Molecular Properties

Compound Name2-(9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-id-3-yl)-5-phenylquinolin-8-ol;platinum
PubChem CID171580341
Molecular FormulaC35H26N3OPt-
Molecular Weight699.69 g/mol
Exact Mass699.17
IUPAC Name2-(9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-id-3-yl)-5-phenylquinolin-8-ol;platinum
SMILESCC1(C)c2ccc(-c3ccc4c(-c5ccccc5)ccc(O)c4n3)[c-]c2N(c2ccccn2)c2ccccc21.[Pt]
InChIInChI=1S/C35H26N3O.Pt/c1-35(2)27-12-6-7-13-30(27)38(33-14-8-9-21-36-33)31-22-24(15-18-28(31)35)29-19-16-26-25(23-10-4-3-5-11-23)17-20-32(39)34(26)37-29;/h3-21,39H,1-2H3;/q-1;
InChIKeyZMPSFXSSEBBLAZ-UHFFFAOYSA-N
XLogP8.58
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.69
LogP ≤ 58.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-5-phenylquinolin-8-ol
CID 171580342
2-[9,9-dimethyl-10-(4-methyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-5-(N-phenylanilino)quinolin-8-ol;platinum
CID 171579771
5-(2,6-dimethylphenyl)-2-(10-pyridin-2-ylspiro[4H-acridin-4-ide-9,9'-fluorene]-3-yl)quinolin-8-ol;platinum
CID 171579845
2-[9,9-dimethyl-10-(4-methyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-5-(trifluoromethyl)quinolin-8-ol;platinum
CID 171580331
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]-7-phenylquinolin-8-ol;platinum
CID 171580032
2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-8-hydroxyquinoline-5-carbonitrile;platinum
CID 171580065
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-(4-phenyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-7-(N-phenylanilino)quinolin-8-ol;platinum
CID 171579988
2-(1-methoxy-9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-id-3-yl)-5-propan-2-ylquinolin-8-ol;platinum
CID 171579711
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
3-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)benzo[f]quinolin-5-ol
CID 171580330

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-id-3-yl)-5-phenylquinolin-8-ol;platinum?
The IUPAC name of 2-(9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-id-3-yl)-5-phenylquinolin-8-ol;platinum (CID 171580341) is 2-(9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-id-3-yl)-5-phenylquinolin-8-ol;platinum.
What is the SMILES notation for 2-(9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-id-3-yl)-5-phenylquinolin-8-ol;platinum?
The canonical SMILES for 2-(9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-id-3-yl)-5-phenylquinolin-8-ol;platinum is CC1(C)c2ccc(-c3ccc4c(-c5ccccc5)ccc(O)c4n3)[c-]c2N(c2ccccn2)c2ccccc21.[Pt].
What is the InChIKey of 2-(9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-id-3-yl)-5-phenylquinolin-8-ol;platinum?
The InChIKey is ZMPSFXSSEBBLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26N3O.Pt/c1-35(2)27-12-6-7-13-30(27)38(33-14-8-9-21-36-33)31-22-24(15-18-28(31)35)29-19-16-26-25(23-10-4-3-5-11-23)17-20-32(39)34(26)37-29;/h3-21,39H,1-2H3;/q-1;.
What are the key properties of 2-(9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-id-3-yl)-5-phenylquinolin-8-ol;platinum?
2-(9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-id-3-yl)-5-phenylquinolin-8-ol;platinum has a molecular weight of 699.69 g/mol, XLogP of 8.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-id-3-yl)-5-phenylquinolin-8-ol;platinum is sourced from PubChem (CID 171580341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).