9-(2,6-dimethoxyphenyl)-1,8-dimethoxy-10-[3-methoxy-5-(trifluoromethyl)phenyl]-9H-acridine

C31H28F3NO5 — CID 122519202

IUPAC9-(2,6-dimethoxyphenyl)-1,8-dimethoxy-10-[3-methoxy-5-(trifluoromethyl)phenyl]-9H-acridine
SMILESCOc1cc(N2c3cccc(OC)c3C(c3c(OC)cccc3OC)c3c(OC)cccc32)cc(C(F)(F)F)c1
InChIInChI=1S/C31H28F3NO5/c1-36-20-16-18(31(32,33)34)15-19(17-20)35-21-9-6-11-23(37-2)27(21)30(28-22(35)10-7-12-24(28)38-3)29-25(39-4)13-8-14-26(29)40-5/h6-17,30H,1-5H3
InChIKeyFIBIFZWLAMNVBU-UHFFFAOYSA-N
MW551.56 g/mol
LogP7.71
Rot. Bonds7

About 9-(2,6-dimethoxyphenyl)-1,8-dimethoxy-10-[3-methoxy-5-(trifluoromethyl)phenyl]-9H-acridine

9-(2,6-dimethoxyphenyl)-1,8-dimethoxy-10-[3-methoxy-5-(trifluoromethyl)phenyl]-9H-acridine (PubChem CID 122519202) has the molecular formula C31H28F3NO5 and a molecular weight of 551.56 g/mol. Its IUPAC name is 9-(2,6-dimethoxyphenyl)-1,8-dimethoxy-10-[3-methoxy-5-(trifluoromethyl)phenyl]-9H-acridine.

Molecular Properties

Compound Name9-(2,6-dimethoxyphenyl)-1,8-dimethoxy-10-[3-methoxy-5-(trifluoromethyl)phenyl]-9H-acridine
PubChem CID122519202
Molecular FormulaC31H28F3NO5
Molecular Weight551.56 g/mol
Exact Mass551.19
IUPAC Name9-(2,6-dimethoxyphenyl)-1,8-dimethoxy-10-[3-methoxy-5-(trifluoromethyl)phenyl]-9H-acridine
SMILESCOc1cc(N2c3cccc(OC)c3C(c3c(OC)cccc3OC)c3c(OC)cccc32)cc(C(F)(F)F)c1
InChIInChI=1S/C31H28F3NO5/c1-36-20-16-18(31(32,33)34)15-19(17-20)35-21-9-6-11-23(37-2)27(21)30(28-22(35)10-7-12-24(28)38-3)29-25(39-4)13-8-14-26(29)40-5/h6-17,30H,1-5H3
InChIKeyFIBIFZWLAMNVBU-UHFFFAOYSA-N
XLogP7.71
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.56
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6,8-dimethoxy-1,3-dimethyl-2-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline
CID 44570649
9-(4-fluorophenyl)-1,8-dimethoxy-10-phenyl-9H-acridine
CID 168341159
1-(difluoromethoxy)-6-(3-methoxyphenyl)-N-methyl-N-phenyl-6H-benzo[c]chromen-8-amine
CID 70025892
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-dimethoxy-9H-acridine
CID 118039274
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
3-(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)-5-(trifluoromethyl)phenol
CID 122519203
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
22-Phenyl-11-(trifluoromethyl)-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 141654666
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

Frequently Asked Questions

What is the IUPAC name of 9-(2,6-dimethoxyphenyl)-1,8-dimethoxy-10-[3-methoxy-5-(trifluoromethyl)phenyl]-9H-acridine?
The IUPAC name of 9-(2,6-dimethoxyphenyl)-1,8-dimethoxy-10-[3-methoxy-5-(trifluoromethyl)phenyl]-9H-acridine (CID 122519202) is 9-(2,6-dimethoxyphenyl)-1,8-dimethoxy-10-[3-methoxy-5-(trifluoromethyl)phenyl]-9H-acridine.
What is the SMILES notation for 9-(2,6-dimethoxyphenyl)-1,8-dimethoxy-10-[3-methoxy-5-(trifluoromethyl)phenyl]-9H-acridine?
The canonical SMILES for 9-(2,6-dimethoxyphenyl)-1,8-dimethoxy-10-[3-methoxy-5-(trifluoromethyl)phenyl]-9H-acridine is COc1cc(N2c3cccc(OC)c3C(c3c(OC)cccc3OC)c3c(OC)cccc32)cc(C(F)(F)F)c1.
What is the InChIKey of 9-(2,6-dimethoxyphenyl)-1,8-dimethoxy-10-[3-methoxy-5-(trifluoromethyl)phenyl]-9H-acridine?
The InChIKey is FIBIFZWLAMNVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28F3NO5/c1-36-20-16-18(31(32,33)34)15-19(17-20)35-21-9-6-11-23(37-2)27(21)30(28-22(35)10-7-12-24(28)38-3)29-25(39-4)13-8-14-26(29)40-5/h6-17,30H,1-5H3.
What are the key properties of 9-(2,6-dimethoxyphenyl)-1,8-dimethoxy-10-[3-methoxy-5-(trifluoromethyl)phenyl]-9H-acridine?
9-(2,6-dimethoxyphenyl)-1,8-dimethoxy-10-[3-methoxy-5-(trifluoromethyl)phenyl]-9H-acridine has a molecular weight of 551.56 g/mol, XLogP of 7.71, 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)-1,8-dimethoxy-10-[3-methoxy-5-(trifluoromethyl)phenyl]-9H-acridine is sourced from PubChem (CID 122519202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).