1,8-dimethoxy-9-[2-methoxy-6-(methoxymethyl)phenyl]-10-(4-methylphenyl)-9H-acridine;methanol

C32H35NO5 — CID 143203025

IUPAC1,8-dimethoxy-9-[2-methoxy-6-(methoxymethyl)phenyl]-10-(4-methylphenyl)-9H-acridine;methanol
SMILESCO.COCc1cccc(OC)c1C1c2c(OC)cccc2N(c2ccc(C)cc2)c2cccc(OC)c21
InChIInChI=1S/C31H31NO4.CH4O/c1-20-15-17-22(18-16-20)32-23-10-7-13-26(35-4)29(23)31(30-24(32)11-8-14-27(30)36-5)28-21(19-33-2)9-6-12-25(28)34-3;1-2/h6-18,31H,19H2,1-5H3;2H,1H3
InChIKeyVQVNHZPZYSBTJV-UHFFFAOYSA-N
MW513.63 g/mol
LogP6.74
Rot. Bonds7

About 1,8-dimethoxy-9-[2-methoxy-6-(methoxymethyl)phenyl]-10-(4-methylphenyl)-9H-acridine;methanol

1,8-dimethoxy-9-[2-methoxy-6-(methoxymethyl)phenyl]-10-(4-methylphenyl)-9H-acridine;methanol (PubChem CID 143203025) has the molecular formula C32H35NO5 and a molecular weight of 513.63 g/mol. Its IUPAC name is 1,8-dimethoxy-9-[2-methoxy-6-(methoxymethyl)phenyl]-10-(4-methylphenyl)-9H-acridine;methanol.

Molecular Properties

Compound Name1,8-dimethoxy-9-[2-methoxy-6-(methoxymethyl)phenyl]-10-(4-methylphenyl)-9H-acridine;methanol
PubChem CID143203025
Molecular FormulaC32H35NO5
Molecular Weight513.63 g/mol
Exact Mass513.25
IUPAC Name1,8-dimethoxy-9-[2-methoxy-6-(methoxymethyl)phenyl]-10-(4-methylphenyl)-9H-acridine;methanol
SMILESCO.COCc1cccc(OC)c1C1c2c(OC)cccc2N(c2ccc(C)cc2)c2cccc(OC)c21
InChIInChI=1S/C31H31NO4.CH4O/c1-20-15-17-22(18-16-20)32-23-10-7-13-26(35-4)29(23)31(30-24(32)11-8-14-27(30)36-5)28-21(19-33-2)9-6-12-25(28)34-3;1-2/h6-18,31H,19H2,1-5H3;2H,1H3
InChIKeyVQVNHZPZYSBTJV-UHFFFAOYSA-N
XLogP6.74
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.63
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,8-dimethoxy-9-[2-methoxy-6-(methoxymethyl)phenyl]-10-(4-methylphenyl)-9H-acridine;methanol?
The IUPAC name of 1,8-dimethoxy-9-[2-methoxy-6-(methoxymethyl)phenyl]-10-(4-methylphenyl)-9H-acridine;methanol (CID 143203025) is 1,8-dimethoxy-9-[2-methoxy-6-(methoxymethyl)phenyl]-10-(4-methylphenyl)-9H-acridine;methanol.
What is the SMILES notation for 1,8-dimethoxy-9-[2-methoxy-6-(methoxymethyl)phenyl]-10-(4-methylphenyl)-9H-acridine;methanol?
The canonical SMILES for 1,8-dimethoxy-9-[2-methoxy-6-(methoxymethyl)phenyl]-10-(4-methylphenyl)-9H-acridine;methanol is CO.COCc1cccc(OC)c1C1c2c(OC)cccc2N(c2ccc(C)cc2)c2cccc(OC)c21.
What is the InChIKey of 1,8-dimethoxy-9-[2-methoxy-6-(methoxymethyl)phenyl]-10-(4-methylphenyl)-9H-acridine;methanol?
The InChIKey is VQVNHZPZYSBTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31NO4.CH4O/c1-20-15-17-22(18-16-20)32-23-10-7-13-26(35-4)29(23)31(30-24(32)11-8-14-27(30)36-5)28-21(19-33-2)9-6-12-25(28)34-3;1-2/h6-18,31H,19H2,1-5H3;2H,1H3.
What are the key properties of 1,8-dimethoxy-9-[2-methoxy-6-(methoxymethyl)phenyl]-10-(4-methylphenyl)-9H-acridine;methanol?
1,8-dimethoxy-9-[2-methoxy-6-(methoxymethyl)phenyl]-10-(4-methylphenyl)-9H-acridine;methanol has a molecular weight of 513.63 g/mol, XLogP of 6.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethoxy-9-[2-methoxy-6-(methoxymethyl)phenyl]-10-(4-methylphenyl)-9H-acridine;methanol is sourced from PubChem (CID 143203025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).