2-[9,9-dimethyl-10-(4-methyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-5-(N-phenylanilino)quinolin-8-ol;platinum

C42H33N4OPt- — CID 171579771

IUPAC2-[9,9-dimethyl-10-(4-methyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-5-(N-phenylanilino)quinolin-8-ol;platinum
SMILESCc1ccnc(N2c3[c-]c(-c4ccc5c(N(c6ccccc6)c6ccccc6)ccc(O)c5n4)ccc3C(C)(C)c3ccccc32)c1.[Pt]
InChIInChI=1S/C42H33N4O.Pt/c1-28-24-25-43-40(26-28)46-37-17-11-10-16-33(37)42(2,3)34-20-18-29(27-38(34)46)35-21-19-32-36(22-23-39(47)41(32)44-35)45(30-12-6-4-7-13-30)31-14-8-5-9-15-31;/h4-26,47H,1-3H3;/q-1;
InChIKeyUZDNPWAQGAYOBG-UHFFFAOYSA-N
MW804.83 g/mol
LogP10.69
Rot. Bonds5

About 2-[9,9-dimethyl-10-(4-methyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-5-(N-phenylanilino)quinolin-8-ol;platinum

2-[9,9-dimethyl-10-(4-methyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-5-(N-phenylanilino)quinolin-8-ol;platinum (PubChem CID 171579771) has the molecular formula C42H33N4OPt- and a molecular weight of 804.83 g/mol. Its IUPAC name is 2-[9,9-dimethyl-10-(4-methyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-5-(N-phenylanilino)quinolin-8-ol;platinum.

Molecular Properties

Compound Name2-[9,9-dimethyl-10-(4-methyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-5-(N-phenylanilino)quinolin-8-ol;platinum
PubChem CID171579771
Molecular FormulaC42H33N4OPt-
Molecular Weight804.83 g/mol
Exact Mass804.23
IUPAC Name2-[9,9-dimethyl-10-(4-methyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-5-(N-phenylanilino)quinolin-8-ol;platinum
SMILESCc1ccnc(N2c3[c-]c(-c4ccc5c(N(c6ccccc6)c6ccccc6)ccc(O)c5n4)ccc3C(C)(C)c3ccccc32)c1.[Pt]
InChIInChI=1S/C42H33N4O.Pt/c1-28-24-25-43-40(26-28)46-37-17-11-10-16-33(37)42(2,3)34-20-18-29(27-38(34)46)35-21-19-32-36(22-23-39(47)41(32)44-35)45(30-12-6-4-7-13-30)31-14-8-5-9-15-31;/h4-26,47H,1-3H3;/q-1;
InChIKeyUZDNPWAQGAYOBG-UHFFFAOYSA-N
XLogP10.69
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.83
LogP ≤ 510.69
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-(trifluoromethyl)quinolin-8-ol;platinum
CID 171580331
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-pyridin-2-yl-4H-acridin-4-id-3-yl)-5-phenylquinolin-8-ol;platinum
CID 171580341
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]-8-hydroxyquinoline-5-carbonitrile;platinum
CID 171580065
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
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
5-(dimethylamino)-2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)acridin-3-yl]quinolin-8-ol
CID 171579788
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
5-(2,6-dimethylphenyl)-2-(10-pyridin-2-ylspiro[4H-acridin-4-ide-9,9'-fluorene]-3-yl)quinolin-8-ol;platinum
CID 171579845
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

Frequently Asked Questions

What is the IUPAC name of 2-[9,9-dimethyl-10-(4-methyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-5-(N-phenylanilino)quinolin-8-ol;platinum?
The IUPAC name of 2-[9,9-dimethyl-10-(4-methyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-5-(N-phenylanilino)quinolin-8-ol;platinum (CID 171579771) is 2-[9,9-dimethyl-10-(4-methyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-5-(N-phenylanilino)quinolin-8-ol;platinum.
What is the SMILES notation for 2-[9,9-dimethyl-10-(4-methyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-5-(N-phenylanilino)quinolin-8-ol;platinum?
The canonical SMILES for 2-[9,9-dimethyl-10-(4-methyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-5-(N-phenylanilino)quinolin-8-ol;platinum is Cc1ccnc(N2c3[c-]c(-c4ccc5c(N(c6ccccc6)c6ccccc6)ccc(O)c5n4)ccc3C(C)(C)c3ccccc32)c1.[Pt].
What is the InChIKey of 2-[9,9-dimethyl-10-(4-methyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-5-(N-phenylanilino)quinolin-8-ol;platinum?
The InChIKey is UZDNPWAQGAYOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H33N4O.Pt/c1-28-24-25-43-40(26-28)46-37-17-11-10-16-33(37)42(2,3)34-20-18-29(27-38(34)46)35-21-19-32-36(22-23-39(47)41(32)44-35)45(30-12-6-4-7-13-30)31-14-8-5-9-15-31;/h4-26,47H,1-3H3;/q-1;.
What are the key properties of 2-[9,9-dimethyl-10-(4-methyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-5-(N-phenylanilino)quinolin-8-ol;platinum?
2-[9,9-dimethyl-10-(4-methyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-5-(N-phenylanilino)quinolin-8-ol;platinum has a molecular weight of 804.83 g/mol, XLogP of 10.69, 5 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-methyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-5-(N-phenylanilino)quinolin-8-ol;platinum is sourced from PubChem (CID 171579771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).