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

C42H40N3OPt- — CID 171579713

IUPAC7-(4-tert-butylphenyl)-2-(9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-id-3-yl)-5-propan-2-ylquinolin-8-ol;platinum
SMILESCC(C)c1cc(-c2ccc(C(C)(C)C)cc2)c(O)c2nc(-c3[c-]c4c(cc3)C(C)(C)c3ccccc3N4c3ccccn3)ccc12.[Pt]
InChIInChI=1S/C42H40N3O.Pt/c1-26(2)31-25-32(27-15-18-29(19-16-27)41(3,4)5)40(46)39-30(31)20-22-35(44-39)28-17-21-34-37(24-28)45(38-14-10-11-23-43-38)36-13-9-8-12-33(36)42(34,6)7;/h8-23,25-26,46H,1-7H3;/q-1;
InChIKeyNDXYJPQOHIFZOZ-UHFFFAOYSA-N
MW797.88 g/mol
LogP11.00
Rot. Bonds4

About 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

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 (PubChem CID 171579713) has the molecular formula C42H40N3OPt- and a molecular weight of 797.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-(4-tert-butylphenyl)-2-(9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-id-3-yl)-5-propan-2-ylquinolin-8-ol;platinum
PubChem CID171579713
Molecular FormulaC42H40N3OPt-
Molecular Weight797.88 g/mol
Exact Mass797.28
IUPAC Name7-(4-tert-butylphenyl)-2-(9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-id-3-yl)-5-propan-2-ylquinolin-8-ol;platinum
SMILESCC(C)c1cc(-c2ccc(C(C)(C)C)cc2)c(O)c2nc(-c3[c-]c4c(cc3)C(C)(C)c3ccccc3N4c3ccccn3)ccc12.[Pt]
InChIInChI=1S/C42H40N3O.Pt/c1-26(2)31-25-32(27-15-18-29(19-16-27)41(3,4)5)40(46)39-30(31)20-22-35(44-39)28-17-21-34-37(24-28)45(38-14-10-11-23-43-38)36-13-9-8-12-33(36)42(34,6)7;/h8-23,25-26,46H,1-7H3;/q-1;
InChIKeyNDXYJPQOHIFZOZ-UHFFFAOYSA-N
XLogP11.00
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.88
LogP ≤ 511.00
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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Launch Full Analysis

Related Compounds

2-(9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-id-3-yl)-5-phenylquinolin-8-ol;platinum
CID 171580341
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-(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-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-(1-methoxy-9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-id-3-yl)-5-propan-2-ylquinolin-8-ol;platinum
CID 171579711
7-ethyl-2-(5-methyl-10-pyridin-2-yl-1H-phenazin-1-id-2-yl)-5-propan-2-ylquinolin-8-ol;platinum
CID 171580161
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-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-phenyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-7-(N-phenylanilino)quinolin-8-ol;platinum
CID 171579988
2-[9,9-dimethyl-10-(4-methyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-5-(N-phenylanilino)quinolin-8-ol;platinum
CID 171579771
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1cc(-c2ccc(C(C)(C)C)cc2)c(O)c2nc(-c3[c-]c4c(cc3)C(C)(C)c3ccccc3N4c3ccccn3)ccc12.[Pt].
What is the InChIKey of 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?
The InChIKey is NDXYJPQOHIFZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H40N3O.Pt/c1-26(2)31-25-32(27-15-18-29(19-16-27)41(3,4)5)40(46)39-30(31)20-22-35(44-39)28-17-21-34-37(24-28)45(38-14-10-11-23-43-38)36-13-9-8-12-33(36)42(34,6)7;/h8-23,25-26,46H,1-7H3;/q-1;.
What are the key properties of 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?
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 has a molecular weight of 797.88 g/mol, XLogP of 11.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171579713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).