2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-7-(N-phenylanilino)quinolin-8-ol;platinum

C47H35N4OPt- — CID 171579988

IUPAC2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-7-(N-phenylanilino)quinolin-8-ol;platinum
SMILESCC1(C)c2ccc(-c3ccc4ccc(N(c5ccccc5)c5ccccc5)c(O)c4n3)[c-]c2N(c2cc(-c3ccccc3)ccn2)c2ccccc21.[Pt]
InChIInChI=1S/C47H35N4O.Pt/c1-47(2)38-20-12-13-21-41(38)51(44-31-34(28-29-48-44)32-14-6-3-7-15-32)43-30-35(22-25-39(43)47)40-26-23-33-24-27-42(46(52)45(33)49-40)50(36-16-8-4-9-17-36)37-18-10-5-11-19-37;/h3-29,31,52H,1-2H3;/q-1;
InChIKeyHRJUGWYUWIGKLG-UHFFFAOYSA-N
MW866.90 g/mol
LogP12.05
Rot. Bonds6

About 2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-7-(N-phenylanilino)quinolin-8-ol;platinum

2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-7-(N-phenylanilino)quinolin-8-ol;platinum (PubChem CID 171579988) has the molecular formula C47H35N4OPt- and a molecular weight of 866.90 g/mol. Its IUPAC name is 2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-7-(N-phenylanilino)quinolin-8-ol;platinum.

Molecular Properties

Compound Name2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-7-(N-phenylanilino)quinolin-8-ol;platinum
PubChem CID171579988
Molecular FormulaC47H35N4OPt-
Molecular Weight866.90 g/mol
Exact Mass866.25
IUPAC Name2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-7-(N-phenylanilino)quinolin-8-ol;platinum
SMILESCC1(C)c2ccc(-c3ccc4ccc(N(c5ccccc5)c5ccccc5)c(O)c4n3)[c-]c2N(c2cc(-c3ccccc3)ccn2)c2ccccc21.[Pt]
InChIInChI=1S/C47H35N4O.Pt/c1-47(2)38-20-12-13-21-41(38)51(44-31-34(28-29-48-44)32-14-6-3-7-15-32)43-30-35(22-25-39(43)47)40-26-23-33-24-27-42(46(52)45(33)49-40)50(36-16-8-4-9-17-36)37-18-10-5-11-19-37;/h3-29,31,52H,1-2H3;/q-1;
InChIKeyHRJUGWYUWIGKLG-UHFFFAOYSA-N
XLogP12.05
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.90
LogP ≤ 512.05
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-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
2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-7-phenylquinolin-8-ol;platinum
CID 171580032
7-(dimethylamino)-2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)acridin-3-yl]quinolin-8-ol
CID 171580134
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-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]-1,6-naphthyridin-8-ol;platinum
CID 171580040
2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)acridin-3-yl]-8-hydroxyquinoline-7-carbonitrile
CID 171579740
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-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-8-hydroxyquinoline-5-carbonitrile;platinum
CID 171580065
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-(2,4,6-trimethylphenyl)-2-pyridinyl]acridin-3-yl]-7-(2-phenylethynyl)quinolin-8-ol
CID 171580248

Frequently Asked Questions

What is the IUPAC name of 2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-7-(N-phenylanilino)quinolin-8-ol;platinum?
The IUPAC name of 2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-7-(N-phenylanilino)quinolin-8-ol;platinum (CID 171579988) is 2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-7-(N-phenylanilino)quinolin-8-ol;platinum.
What is the SMILES notation for 2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-7-(N-phenylanilino)quinolin-8-ol;platinum?
The canonical SMILES for 2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-7-(N-phenylanilino)quinolin-8-ol;platinum is CC1(C)c2ccc(-c3ccc4ccc(N(c5ccccc5)c5ccccc5)c(O)c4n3)[c-]c2N(c2cc(-c3ccccc3)ccn2)c2ccccc21.[Pt].
What is the InChIKey of 2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-7-(N-phenylanilino)quinolin-8-ol;platinum?
The InChIKey is HRJUGWYUWIGKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35N4O.Pt/c1-47(2)38-20-12-13-21-41(38)51(44-31-34(28-29-48-44)32-14-6-3-7-15-32)43-30-35(22-25-39(43)47)40-26-23-33-24-27-42(46(52)45(33)49-40)50(36-16-8-4-9-17-36)37-18-10-5-11-19-37;/h3-29,31,52H,1-2H3;/q-1;.
What are the key properties of 2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-7-(N-phenylanilino)quinolin-8-ol;platinum?
2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-7-(N-phenylanilino)quinolin-8-ol;platinum has a molecular weight of 866.90 g/mol, XLogP of 12.05, 6 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-phenyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-7-(N-phenylanilino)quinolin-8-ol;platinum is sourced from PubChem (CID 171579988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).