3,4-bis[(2-methylquinolin-8-yl)oxy]-2,6-diphenylphenol

C38H28N2O3 — CID 174989635

IUPAC3,4-bis[(2-methylquinolin-8-yl)oxy]-2,6-diphenylphenol
SMILESCc1ccc2cccc(Oc3cc(-c4ccccc4)c(O)c(-c4ccccc4)c3Oc3cccc4ccc(C)nc34)c2n1
InChIInChI=1S/C38H28N2O3/c1-24-19-21-28-15-9-17-31(35(28)39-24)42-33-23-30(26-11-5-3-6-12-26)37(41)34(27-13-7-4-8-14-27)38(33)43-32-18-10-16-29-22-20-25(2)40-36(29)32/h3-23,41H,1-2H3
InChIKeyUEOHQLVKQGVABT-UHFFFAOYSA-N
MW560.65 g/mol
LogP10.02
Rot. Bonds6

About 3,4-bis[(2-methylquinolin-8-yl)oxy]-2,6-diphenylphenol

3,4-bis[(2-methylquinolin-8-yl)oxy]-2,6-diphenylphenol (PubChem CID 174989635) has the molecular formula C38H28N2O3 and a molecular weight of 560.65 g/mol. Its IUPAC name is 3,4-bis[(2-methylquinolin-8-yl)oxy]-2,6-diphenylphenol.

Molecular Properties

Compound Name3,4-bis[(2-methylquinolin-8-yl)oxy]-2,6-diphenylphenol
PubChem CID174989635
Molecular FormulaC38H28N2O3
Molecular Weight560.65 g/mol
Exact Mass560.21
IUPAC Name3,4-bis[(2-methylquinolin-8-yl)oxy]-2,6-diphenylphenol
SMILESCc1ccc2cccc(Oc3cc(-c4ccccc4)c(O)c(-c4ccccc4)c3Oc3cccc4ccc(C)nc34)c2n1
InChIInChI=1S/C38H28N2O3/c1-24-19-21-28-15-9-17-31(35(28)39-24)42-33-23-30(26-11-5-3-6-12-26)37(41)34(27-13-7-4-8-14-27)38(33)43-32-18-10-16-29-22-20-25(2)40-36(29)32/h3-23,41H,1-2H3
InChIKeyUEOHQLVKQGVABT-UHFFFAOYSA-N
XLogP10.02
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.65
LogP ≤ 510.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4,6-trimethyl-3,5-bis[(2-methylquinolin-8-yl)oxy]phenol
CID 174989435
2-methyl-5-(2-methylquinolin-8-yl)oxyquinolin-8-ol
CID 143770480
2-methylquinolin-8-ol;2-phenylphenol;propane
CID 143547724
4-(2-methylquinolin-8-yl)oxy-6-phenylthieno[2,3-d]pyrimidine
CID 985281
5-chloro-2-methyl-7-phenylquinolin-8-ol
CID 122229840
2-methyl-8-pyridin-2-yloxyquinoline
CID 23934989
CID 20665518
CID 20665518
(2S)-2-(2-methylquinolin-8-yl)oxypropanoic acid
CID 30048247
2-fluoro-6-(2-methylquinolin-8-yl)oxyaniline
CID 60789943
5-iodo-2-(2-methylquinolin-8-yl)oxyaniline
CID 66081361
4-bromo-2-(2-methylquinolin-8-yl)oxyaniline
CID 65342646
bis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)gallane
CID 20679832

Frequently Asked Questions

What is the IUPAC name of 3,4-bis[(2-methylquinolin-8-yl)oxy]-2,6-diphenylphenol?
The IUPAC name of 3,4-bis[(2-methylquinolin-8-yl)oxy]-2,6-diphenylphenol (CID 174989635) is 3,4-bis[(2-methylquinolin-8-yl)oxy]-2,6-diphenylphenol.
What is the SMILES notation for 3,4-bis[(2-methylquinolin-8-yl)oxy]-2,6-diphenylphenol?
The canonical SMILES for 3,4-bis[(2-methylquinolin-8-yl)oxy]-2,6-diphenylphenol is Cc1ccc2cccc(Oc3cc(-c4ccccc4)c(O)c(-c4ccccc4)c3Oc3cccc4ccc(C)nc34)c2n1.
What is the InChIKey of 3,4-bis[(2-methylquinolin-8-yl)oxy]-2,6-diphenylphenol?
The InChIKey is UEOHQLVKQGVABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28N2O3/c1-24-19-21-28-15-9-17-31(35(28)39-24)42-33-23-30(26-11-5-3-6-12-26)37(41)34(27-13-7-4-8-14-27)38(33)43-32-18-10-16-29-22-20-25(2)40-36(29)32/h3-23,41H,1-2H3.
What are the key properties of 3,4-bis[(2-methylquinolin-8-yl)oxy]-2,6-diphenylphenol?
3,4-bis[(2-methylquinolin-8-yl)oxy]-2,6-diphenylphenol has a molecular weight of 560.65 g/mol, XLogP of 10.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis[(2-methylquinolin-8-yl)oxy]-2,6-diphenylphenol is sourced from PubChem (CID 174989635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).