2-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-5-phenylquinolin-8-ol

C35H27N3O — CID 171580342

IUPAC2-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-5-phenylquinolin-8-ol
SMILESCC1(C)c2ccccc2N(c2ccccn2)c2cc(-c3ccc4c(-c5ccccc5)ccc(O)c4n3)ccc21
InChIInChI=1S/C35H27N3O/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/h3-22,39H,1-2H3
InChIKeyHTHMUMSDGSRFTM-UHFFFAOYSA-N
MW505.62 g/mol
LogP8.78
Rot. Bonds3

About 2-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-5-phenylquinolin-8-ol

2-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-5-phenylquinolin-8-ol (PubChem CID 171580342) has the molecular formula C35H27N3O and a molecular weight of 505.62 g/mol. Its IUPAC name is 2-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-5-phenylquinolin-8-ol.

Molecular Properties

Compound Name2-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-5-phenylquinolin-8-ol
PubChem CID171580342
Molecular FormulaC35H27N3O
Molecular Weight505.62 g/mol
Exact Mass505.22
IUPAC Name2-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-5-phenylquinolin-8-ol
SMILESCC1(C)c2ccccc2N(c2ccccn2)c2cc(-c3ccc4c(-c5ccccc5)ccc(O)c4n3)ccc21
InChIInChI=1S/C35H27N3O/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/h3-22,39H,1-2H3
InChIKeyHTHMUMSDGSRFTM-UHFFFAOYSA-N
XLogP8.78
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.62
LogP ≤ 58.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)benzo[f]quinolin-5-ol
CID 171580330
2-(9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-id-3-yl)-5-phenylquinolin-8-ol;platinum
CID 171580341
15-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-8,8-bis(trideuteriomethyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-ol
CID 171580001
3-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)benzo[f]quinoline-5-thiol
CID 171579701
5-(dimethylamino)-2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)acridin-3-yl]quinolin-8-ol
CID 171579788
2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-5-(2-phenylethynyl)quinolin-8-ol
CID 171580421
2-[9,9-dimethyl-10-(4-methyl-2-pyridinyl)acridin-3-yl]-7-phenylquinoline-8-thiol
CID 171580328
9,9-dimethyl-10-pyridin-2-ylacridin-3-ol
CID 118539200
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-phenyl-2-pyridinyl)acridin-3-yl]-8-hydroxyquinoline-7-carbonitrile
CID 171579740
5-tert-butyl-2-[6,9,9-trimethyl-10-[5-(N-phenylanilino)-2-pyridinyl]acridin-3-yl]quinolin-8-ol
CID 171580025
2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-8-hydroxyquinoline-4-carbonitrile
CID 171579963

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-5-phenylquinolin-8-ol?
The IUPAC name of 2-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-5-phenylquinolin-8-ol (CID 171580342) is 2-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-5-phenylquinolin-8-ol.
What is the SMILES notation for 2-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-5-phenylquinolin-8-ol?
The canonical SMILES for 2-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-5-phenylquinolin-8-ol is CC1(C)c2ccccc2N(c2ccccn2)c2cc(-c3ccc4c(-c5ccccc5)ccc(O)c4n3)ccc21.
What is the InChIKey of 2-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-5-phenylquinolin-8-ol?
The InChIKey is HTHMUMSDGSRFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27N3O/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/h3-22,39H,1-2H3.
What are the key properties of 2-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-5-phenylquinolin-8-ol?
2-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-5-phenylquinolin-8-ol has a molecular weight of 505.62 g/mol, XLogP of 8.78, 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-ylacridin-3-yl)-5-phenylquinolin-8-ol is sourced from PubChem (CID 171580342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).