9-(2,6-dimethoxyphenyl)-10-(5-fluoro-2-methoxyphenyl)-1,8-dimethoxy-9H-acridine

C30H28FNO5 — CID 118039274

IUPAC9-(2,6-dimethoxyphenyl)-10-(5-fluoro-2-methoxyphenyl)-1,8-dimethoxy-9H-acridine
SMILESCOc1ccc(F)cc1N1c2cccc(OC)c2C(c2c(OC)cccc2OC)c2c(OC)cccc21
InChIInChI=1S/C30H28FNO5/c1-33-22-16-15-18(31)17-21(22)32-19-9-6-11-23(34-2)27(19)30(28-20(32)10-7-12-24(28)35-3)29-25(36-4)13-8-14-26(29)37-5/h6-17,30H,1-5H3
InChIKeyBVXXSDXUBDGAEH-UHFFFAOYSA-N
MW501.55 g/mol
LogP6.83
Rot. Bonds7

About 9-(2,6-dimethoxyphenyl)-10-(5-fluoro-2-methoxyphenyl)-1,8-dimethoxy-9H-acridine

9-(2,6-dimethoxyphenyl)-10-(5-fluoro-2-methoxyphenyl)-1,8-dimethoxy-9H-acridine (PubChem CID 118039274) has the molecular formula C30H28FNO5 and a molecular weight of 501.55 g/mol. Its IUPAC name is 9-(2,6-dimethoxyphenyl)-10-(5-fluoro-2-methoxyphenyl)-1,8-dimethoxy-9H-acridine.

Molecular Properties

Compound Name9-(2,6-dimethoxyphenyl)-10-(5-fluoro-2-methoxyphenyl)-1,8-dimethoxy-9H-acridine
PubChem CID118039274
Molecular FormulaC30H28FNO5
Molecular Weight501.55 g/mol
Exact Mass501.20
IUPAC Name9-(2,6-dimethoxyphenyl)-10-(5-fluoro-2-methoxyphenyl)-1,8-dimethoxy-9H-acridine
SMILESCOc1ccc(F)cc1N1c2cccc(OC)c2C(c2c(OC)cccc2OC)c2c(OC)cccc21
InChIInChI=1S/C30H28FNO5/c1-33-22-16-15-18(31)17-21(22)32-19-9-6-11-23(34-2)27(19)30(28-20(32)10-7-12-24(28)35-3)29-25(36-4)13-8-14-26(29)37-5/h6-17,30H,1-5H3
InChIKeyBVXXSDXUBDGAEH-UHFFFAOYSA-N
XLogP6.83
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.55
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-(2,6-dimethoxyphenyl)-10-(5-fluoro-2-methoxyphenyl)-1,8-dimethoxy-9H-acridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-(4-fluorophenyl)-1,8-dimethoxy-10-phenyl-9H-acridine
CID 168341159
9-(2,6-dimethoxyphenyl)-1,8-dimethoxy-10-[2-methoxy-5-(trifluoromethyl)phenyl]-9H-acridine
CID 118038907
9-(2,6-Dimethoxyphenyl)-10-(5-fluoro-2-methoxyphenyl)-1,8-dimethoxyacridin-10-ium
CID 118039273
2-(8,14-Dioxa-22-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaen-22-yl)-4-(trifluoromethyl)phenol
CID 122519201
9-(2,6-dimethoxyphenyl)-1,8-dimethoxy-10-[3-methoxy-5-(trifluoromethyl)phenyl]-9H-acridine
CID 122519202
9-(2,6-Dimethoxyphenyl)-1,8-dimethoxy-10-[2-methoxy-5-(trifluoromethyl)phenyl]-9,10-dihydroacridin-10-ium;hexafluorophosphate
CID 140735954
9-(2,6-Dimethoxyphenyl)-1,8-dimethoxy-10-[3-methoxy-5-(trifluoromethyl)phenyl]-9,10-dihydroacridin-10-ium;hexafluorophosphate
CID 140735966
9-(4-fluorophenyl)-1,8-dimethoxy-10-methyl-9H-acridine
CID 154630847
9-(2,6-dimethoxyphenyl)-1,8-dimethoxy-10-[2-methoxy-5-(trifluoromethyl)phenyl]-9H-acridine hexafluorophosphate
CID 157502476
9-(2,6-dimethoxyphenyl)-1,8-dimethoxy-10-[3-methoxy-5-(trifluoromethyl)phenyl]-9H-acridine hexafluorophosphate
CID 158038518
2-(8,14-Dioxa-22-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaen-22-yl)-4-(trifluoromethyl)phenol hexafluorophosphate
CID 161327250
10-(4-Tert-butylphenyl)-9-[[10-(4-tert-butylphenyl)-1,8-dimethoxyacridin-9-ylidene]methylidene]-1,8-dimethoxyacridine
CID 102044220

Frequently Asked Questions

What is the IUPAC name of 9-(2,6-dimethoxyphenyl)-10-(5-fluoro-2-methoxyphenyl)-1,8-dimethoxy-9H-acridine?
The IUPAC name of 9-(2,6-dimethoxyphenyl)-10-(5-fluoro-2-methoxyphenyl)-1,8-dimethoxy-9H-acridine (CID 118039274) is 9-(2,6-dimethoxyphenyl)-10-(5-fluoro-2-methoxyphenyl)-1,8-dimethoxy-9H-acridine.
What is the SMILES notation for 9-(2,6-dimethoxyphenyl)-10-(5-fluoro-2-methoxyphenyl)-1,8-dimethoxy-9H-acridine?
The canonical SMILES for 9-(2,6-dimethoxyphenyl)-10-(5-fluoro-2-methoxyphenyl)-1,8-dimethoxy-9H-acridine is COc1ccc(F)cc1N1c2cccc(OC)c2C(c2c(OC)cccc2OC)c2c(OC)cccc21.
What is the InChIKey of 9-(2,6-dimethoxyphenyl)-10-(5-fluoro-2-methoxyphenyl)-1,8-dimethoxy-9H-acridine?
The InChIKey is BVXXSDXUBDGAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28FNO5/c1-33-22-16-15-18(31)17-21(22)32-19-9-6-11-23(34-2)27(19)30(28-20(32)10-7-12-24(28)35-3)29-25(36-4)13-8-14-26(29)37-5/h6-17,30H,1-5H3.
What are the key properties of 9-(2,6-dimethoxyphenyl)-10-(5-fluoro-2-methoxyphenyl)-1,8-dimethoxy-9H-acridine?
9-(2,6-dimethoxyphenyl)-10-(5-fluoro-2-methoxyphenyl)-1,8-dimethoxy-9H-acridine has a molecular weight of 501.55 g/mol, XLogP of 6.83, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,6-dimethoxyphenyl)-10-(5-fluoro-2-methoxyphenyl)-1,8-dimethoxy-9H-acridine is sourced from PubChem (CID 118039274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).