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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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).