2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]acridin-3-yl]-4-methoxyquinolin-8-ol

C39H35N3O2 — CID 171580112

IUPAC2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]acridin-3-yl]-4-methoxyquinolin-8-ol
SMILESCOc1cc(-c2ccc3c(c2)N(c2cc(-c4c(C)cc(C)cc4C)ccn2)c2ccccc2C3(C)C)nc2c(O)cccc12
InChIInChI=1S/C39H35N3O2/c1-23-18-24(2)37(25(3)19-23)27-16-17-40-36(21-27)42-32-12-8-7-11-29(32)39(4,5)30-15-14-26(20-33(30)42)31-22-35(44-6)28-10-9-13-34(43)38(28)41-31/h7-22,43H,1-6H3
InChIKeyYFKBUZRDBASRQU-UHFFFAOYSA-N
MW577.73 g/mol
LogP9.71
Rot. Bonds4

About 2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]acridin-3-yl]-4-methoxyquinolin-8-ol

2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]acridin-3-yl]-4-methoxyquinolin-8-ol (PubChem CID 171580112) has the molecular formula C39H35N3O2 and a molecular weight of 577.73 g/mol. Its IUPAC name is 2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]acridin-3-yl]-4-methoxyquinolin-8-ol.

Molecular Properties

Compound Name2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]acridin-3-yl]-4-methoxyquinolin-8-ol
PubChem CID171580112
Molecular FormulaC39H35N3O2
Molecular Weight577.73 g/mol
Exact Mass577.27
IUPAC Name2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]acridin-3-yl]-4-methoxyquinolin-8-ol
SMILESCOc1cc(-c2ccc3c(c2)N(c2cc(-c4c(C)cc(C)cc4C)ccn2)c2ccccc2C3(C)C)nc2c(O)cccc12
InChIInChI=1S/C39H35N3O2/c1-23-18-24(2)37(25(3)19-23)27-16-17-40-36(21-27)42-32-12-8-7-11-29(32)39(4,5)30-15-14-26(20-33(30)42)31-22-35(44-6)28-10-9-13-34(43)38(28)41-31/h7-22,43H,1-6H3
InChIKeyYFKBUZRDBASRQU-UHFFFAOYSA-N
XLogP9.71
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.73
LogP ≤ 59.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]acridin-3-yl]-4-methoxyquinolin-8-ol with MolForge

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Related Compounds

2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]acridin-3-yl]-7-(2-phenylethynyl)quinolin-8-ol
CID 171580248
2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-8-hydroxyquinoline-4-carbonitrile
CID 171579963
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
3-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)benzo[f]quinolin-5-ol
CID 171580330
2-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-5-phenylquinolin-8-ol
CID 171580342
5-(dimethylamino)-2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)acridin-3-yl]quinolin-8-ol
CID 171579788
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
7-(dimethylamino)-2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)acridin-3-yl]quinolin-8-ol
CID 171580134
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
9,9-dimethyl-3-[6-methyl-1-phenyl-2-[4-(2,4,6-trimethylphenyl)-9H-carbazol-1-yl]benzimidazol-4-yl]-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]acridine
CID 176643108
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-phenyl-2-pyridinyl)acridin-3-yl]-8-hydroxyquinoline-7-carbonitrile
CID 171579740

Frequently Asked Questions

What is the IUPAC name of 2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]acridin-3-yl]-4-methoxyquinolin-8-ol?
The IUPAC name of 2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]acridin-3-yl]-4-methoxyquinolin-8-ol (CID 171580112) is 2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]acridin-3-yl]-4-methoxyquinolin-8-ol.
What is the SMILES notation for 2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]acridin-3-yl]-4-methoxyquinolin-8-ol?
The canonical SMILES for 2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]acridin-3-yl]-4-methoxyquinolin-8-ol is COc1cc(-c2ccc3c(c2)N(c2cc(-c4c(C)cc(C)cc4C)ccn2)c2ccccc2C3(C)C)nc2c(O)cccc12.
What is the InChIKey of 2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]acridin-3-yl]-4-methoxyquinolin-8-ol?
The InChIKey is YFKBUZRDBASRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H35N3O2/c1-23-18-24(2)37(25(3)19-23)27-16-17-40-36(21-27)42-32-12-8-7-11-29(32)39(4,5)30-15-14-26(20-33(30)42)31-22-35(44-6)28-10-9-13-34(43)38(28)41-31/h7-22,43H,1-6H3.
What are the key properties of 2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]acridin-3-yl]-4-methoxyquinolin-8-ol?
2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]acridin-3-yl]-4-methoxyquinolin-8-ol has a molecular weight of 577.73 g/mol, XLogP of 9.71, 4 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-(2,4,6-trimethylphenyl)-2-pyridinyl]acridin-3-yl]-4-methoxyquinolin-8-ol is sourced from PubChem (CID 171580112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).