2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-1,6-naphthyridin-8-ol;platinum

C31H27N4OPt- — CID 171580040

IUPAC2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-1,6-naphthyridin-8-ol;platinum
SMILESCC(C)c1ccnc(N2c3[c-]c(-c4ccc5cncc(O)c5n4)ccc3C(C)(C)c3ccccc32)c1.[Pt]
InChIInChI=1S/C31H27N4O.Pt/c1-19(2)20-13-14-33-29(16-20)35-26-8-6-5-7-23(26)31(3,4)24-11-9-21(15-27(24)35)25-12-10-22-17-32-18-28(36)30(22)34-25;/h5-14,16-19,36H,1-4H3;/q-1;
InChIKeyQAUJFUWCSSZNQU-UHFFFAOYSA-N
MW666.66 g/mol
LogP7.43
Rot. Bonds3

About 2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-1,6-naphthyridin-8-ol;platinum

2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-1,6-naphthyridin-8-ol;platinum (PubChem CID 171580040) has the molecular formula C31H27N4OPt- and a molecular weight of 666.66 g/mol. Its IUPAC name is 2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-1,6-naphthyridin-8-ol;platinum.

Molecular Properties

Compound Name2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-1,6-naphthyridin-8-ol;platinum
PubChem CID171580040
Molecular FormulaC31H27N4OPt-
Molecular Weight666.66 g/mol
Exact Mass666.18
IUPAC Name2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-1,6-naphthyridin-8-ol;platinum
SMILESCC(C)c1ccnc(N2c3[c-]c(-c4ccc5cncc(O)c5n4)ccc3C(C)(C)c3ccccc32)c1.[Pt]
InChIInChI=1S/C31H27N4O.Pt/c1-19(2)20-13-14-33-29(16-20)35-26-8-6-5-7-23(26)31(3,4)24-11-9-21(15-27(24)35)25-12-10-22-17-32-18-28(36)30(22)34-25;/h5-14,16-19,36H,1-4H3;/q-1;
InChIKeyQAUJFUWCSSZNQU-UHFFFAOYSA-N
XLogP7.43
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.66
LogP ≤ 57.43
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]-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-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-8-hydroxyquinoline-5-carbonitrile;platinum
CID 171580065
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-(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
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-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-(9,9-dimethyl-4-pyrazin-2-yl-2,5-dihydrocyclopenta[b]quinolin-5-id-6-yl)quinolin-8-ol;platinum
CID 171580311

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]-1,6-naphthyridin-8-ol;platinum?
The IUPAC name of 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) is 2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-1,6-naphthyridin-8-ol;platinum.
What is the SMILES notation for 2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-1,6-naphthyridin-8-ol;platinum?
The canonical SMILES for 2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-1,6-naphthyridin-8-ol;platinum is CC(C)c1ccnc(N2c3[c-]c(-c4ccc5cncc(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]-1,6-naphthyridin-8-ol;platinum?
The InChIKey is QAUJFUWCSSZNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N4O.Pt/c1-19(2)20-13-14-33-29(16-20)35-26-8-6-5-7-23(26)31(3,4)24-11-9-21(15-27(24)35)25-12-10-22-17-32-18-28(36)30(22)34-25;/h5-14,16-19,36H,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]-1,6-naphthyridin-8-ol;platinum?
2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-1,6-naphthyridin-8-ol;platinum has a molecular weight of 666.66 g/mol, XLogP of 7.43, 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]-1,6-naphthyridin-8-ol;platinum is sourced from PubChem (CID 171580040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).