tetrakis(dichloromethane);bis(6-(trifluoromethoxy)-8-[2,4,5-tris[6-(trifluoromethoxy)quinolin-8-yl]phenyl]quinoline)

C96H52Cl8F24N8O8 — CID 139103622

IUPACtetrakis(dichloromethane);bis(6-(trifluoromethoxy)-8-[2,4,5-tris[6-(trifluoromethoxy)quinolin-8-yl]phenyl]quinoline)
SMILESClCCl.ClCCl.ClCCl.ClCCl.FC(F)(F)Oc1cc(-c2cc(-c3cc(OC(F)(F)F)cc4cccnc34)c(-c3cc(OC(F)(F)F)cc4cccnc34)cc2-c2cc(OC(F)(F)F)cc3cccnc23)c2ncccc2c1.FC(F)(F)Oc1cc(-c2cc(-c3cc(OC(F)(F)F)cc4cccnc34)c(-c3cc(OC(F)(F)F)cc4cccnc34)cc2-c2cc(OC(F)(F)F)cc3cccnc23)c2ncccc2c1
InChIInChI=1S/2C46H22F12N4O4.4CH2Cl2/c2*47-43(48,49)63-27-13-23-5-1-9-59-39(23)35(17-27)31-21-33(37-19-29(65-45(53,54)55)15-25-7-3-11-61-41(25)37)34(38-20-30(66-46(56,57)58)16-26-8-4-12-62-42(26)38)22-32(31)36-18-28(64-44(50,51)52)14-24-6-2-10-60-40(24)36;4*2-1-3/h2*1-22H;4*1H2
InChIKeyHXAFISCXYPBAHS-UHFFFAOYSA-N
MW2185.10 g/mol
LogP33.97
Rot. Bonds16

About tetrakis(dichloromethane);bis(6-(trifluoromethoxy)-8-[2,4,5-tris[6-(trifluoromethoxy)quinolin-8-yl]phenyl]quinoline)

tetrakis(dichloromethane);bis(6-(trifluoromethoxy)-8-[2,4,5-tris[6-(trifluoromethoxy)quinolin-8-yl]phenyl]quinoline) (PubChem CID 139103622) has the molecular formula C96H52Cl8F24N8O8 and a molecular weight of 2185.10 g/mol. Its IUPAC name is tetrakis(dichloromethane);bis(6-(trifluoromethoxy)-8-[2,4,5-tris[6-(trifluoromethoxy)quinolin-8-yl]phenyl]quinoline).

Molecular Properties

Compound Nametetrakis(dichloromethane);bis(6-(trifluoromethoxy)-8-[2,4,5-tris[6-(trifluoromethoxy)quinolin-8-yl]phenyl]quinoline)
PubChem CID139103622
Molecular FormulaC96H52Cl8F24N8O8
Molecular Weight2185.10 g/mol
Exact Mass2180.10
IUPAC Nametetrakis(dichloromethane);bis(6-(trifluoromethoxy)-8-[2,4,5-tris[6-(trifluoromethoxy)quinolin-8-yl]phenyl]quinoline)
SMILESClCCl.ClCCl.ClCCl.ClCCl.FC(F)(F)Oc1cc(-c2cc(-c3cc(OC(F)(F)F)cc4cccnc34)c(-c3cc(OC(F)(F)F)cc4cccnc34)cc2-c2cc(OC(F)(F)F)cc3cccnc23)c2ncccc2c1.FC(F)(F)Oc1cc(-c2cc(-c3cc(OC(F)(F)F)cc4cccnc34)c(-c3cc(OC(F)(F)F)cc4cccnc34)cc2-c2cc(OC(F)(F)F)cc3cccnc23)c2ncccc2c1
InChIInChI=1S/2C46H22F12N4O4.4CH2Cl2/c2*47-43(48,49)63-27-13-23-5-1-9-59-39(23)35(17-27)31-21-33(37-19-29(65-45(53,54)55)15-25-7-3-11-61-41(25)37)34(38-20-30(66-46(56,57)58)16-26-8-4-12-62-42(26)38)22-32(31)36-18-28(64-44(50,51)52)14-24-6-2-10-60-40(24)36;4*2-1-3/h2*1-22H;4*1H2
InChIKeyHXAFISCXYPBAHS-UHFFFAOYSA-N
XLogP33.97
TPSA176.96 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002185.10
LogP ≤ 533.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze tetrakis(dichloromethane);bis(6-(trifluoromethoxy)-8-[2,4,5-tris[6-(trifluoromethoxy)quinolin-8-yl]phenyl]quinoline) 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

4-(4-Methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,5-naphthyridine
CID 139095340
(4R)-1-[(1S,2R)-2-aminocyclohexyl]-4-[(2R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-4-(6-methoxyquinolin-4-yl)butane-2-thione;(4R)-1-[(1S,2R)-2-aminocyclohexyl]-4-[(2R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-4-(6-methoxyquinolin-4-yl)butane-2-thione;(4R)-1-[3,5-bis(trifluoromethyl)phenyl]-4-[(2R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-4-(6-methoxyquinolin-4-yl)butane-2-thione;(4R)-1-[3,5-bis(trifluoromethyl)phenyl]-4-[(2R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-4-(6-methoxyquinolin-4-yl)butane-2-thione;(4R)-1-cyclohexyl-4-[(2R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-4-(6-methoxyquinolin-4-yl)butane-2-thione;(4R)-1-cyclohexyl-4-[(2R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-4-(6-methoxyquinolin-4-yl)butane-2-thione
CID 157996383
Bis(1-tert-butyl-4-methylbenzene);bis(2-tert-butyl-5-methylpyridine);5-tert-butyl-2-methylpyridine;2-tert-butyl-8-methylquinoline;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene
CID 158101247
7,12-Bis(4-methoxyphenyl)benzo[j]phenanthridine;7,12-bis[4-(trifluoromethyl)phenyl]benzo[j]phenanthridine;4-[12-(4-cyanophenyl)benzo[j]phenanthridin-7-yl]benzonitrile;7,12-di(acridin-9-yl)benzo[j]phenanthridine;trimethyl-[4-[7-(4-trimethylsilylphenyl)benzo[j]phenanthridin-12-yl]phenyl]silane;triphenyl-[4-[7-(4-triphenylsilylphenyl)benzo[j]phenanthridin-12-yl]phenyl]silane
CID 158374257
7-Chloro-3-methyl-8-propan-2-ylquinoline;4-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;bis(1,4-dimethyl-2-propan-2-ylbenzene);1-fluoro-2-methyl-3-propan-2-ylbenzene;bis(1-fluoro-3-methyl-2-propan-2-ylbenzene);2-fluoro-6-propan-2-ylpyridine;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;1-methoxy-2-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-1-propan-2-ylnaphthalene;2-methoxy-3-propan-2-ylnaphthalene;2-phenyl-6-propan-2-ylpyridine;2-propan-2-ylquinoline;2-propan-2-yl-4-(trifluoromethyl)pyridine
CID 158528158
2-(2,4-difluoro-6-methylphenyl)-4-methoxy-1-methylpyridin-1-ium;1-(2,5-dimethylphenyl)-2-methylisoquinolin-2-ium;2-(4-fluoro-2-methylphenyl)-1-methyl-5-(trifluoromethyl)pyridin-1-ium;1-(5-methoxy-2-methylphenyl)-2-methylisoquinolin-2-ium;N,N,4-trimethyl-3-(2-methylisoquinolin-2-ium-1-yl)aniline
CID 158562228
N,N-diphenylnaphtho[2,1-f]quinolin-12-amine;12-(3-methoxy-5-methylphenyl)naphtho[2,1-f]quinoline;12-[3-methyl-5-(trifluoromethyl)phenyl]naphtho[2,1-f]quinoline;4-(4-naphtho[2,1-f]quinolin-12-ylphenyl)-N,N-diphenylaniline;N-phenyl-N-(2,3,4-trifluorophenyl)naphtho[2,1-f]quinolin-12-amine
CID 158662943
2-(3,5-Dimethyl-2-pyridinyl)-6-methoxyquinoline;2-(3,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;2-(4,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;2-(5,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;[2-(3,5-dimethyl-2-pyridinyl)quinolin-6-yl]-trimethylsilane;[2-(3,6-dimethyl-2-pyridinyl)quinolin-6-yl]-trimethylsilane;6-methoxy-2-(3-methyl-2-pyridinyl)quinoline;6-methoxy-2-(4-methyl-2-pyridinyl)quinoline;6-methoxy-2-(5-methyl-2-pyridinyl)quinoline;6-methoxy-2-(6-methyl-2-pyridinyl)quinoline;6-methoxy-2-pyridin-2-ylquinoline;2-pyridin-2-yl-6-(trifluoromethyl)quinoline
CID 158866553
4-[(S)-[1-(anthracen-9-ylmethyl)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-phenylmethoxymethyl]quinoline;(S)-[1-(anthracen-9-ylmethyl)-5-ethyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;4-[(S)-[1-(anthracen-9-ylmethyl)-5-ethyl-1-azoniabicyclo[2.2.2]octan-2-yl]-phenylmethoxymethyl]quinoline;carbanide;(S)-[5-ethenyl-1-[(4-methoxyphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;(S)-[5-ethenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 158912775
3-[3-(4-Aminoquinolin-6-yl)-2-pyridinyl]phenol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinolin-4-amine;6-[2-(3-methoxyphenyl)-3-pyridinyl]quinolin-4-amine;6-[2-(2-methylphenyl)-3-pyridinyl]quinolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinolin-4-amine
CID 158923385
8,13-Bis(3-fluorophenyl)-5-naphthalen-2-yl-6,10-diphenylbenzo[a]tetracene;8,13-bis(6-methoxynaphthalen-2-yl)-5-naphthalen-2-yl-6,10-diphenylbenzo[a]tetracene;8-(3-methylphenyl)-5-naphthalen-2-yl-6,10-diphenyl-13-[3-(trifluoromethyl)phenyl]benzo[a]tetracene;2-[5-naphthalen-2-yl-6,10-diphenyl-8-(6-pyridin-4-yl-2-pyridinyl)benzo[a]tetracen-13-yl]-6-pyridin-4-ylpyridine
CID 159260804
bis((R)-(1-benzyl-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol);carbanide;bis((S)-[5-ethenyl-1-(naphthalen-2-ylmethyl)-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol);(R)-[5-ethenyl-1-[[4-(trifluoromethyl)phenyl]methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 159784727

Frequently Asked Questions

What is the IUPAC name of tetrakis(dichloromethane);bis(6-(trifluoromethoxy)-8-[2,4,5-tris[6-(trifluoromethoxy)quinolin-8-yl]phenyl]quinoline)?
The IUPAC name of tetrakis(dichloromethane);bis(6-(trifluoromethoxy)-8-[2,4,5-tris[6-(trifluoromethoxy)quinolin-8-yl]phenyl]quinoline) (CID 139103622) is tetrakis(dichloromethane);bis(6-(trifluoromethoxy)-8-[2,4,5-tris[6-(trifluoromethoxy)quinolin-8-yl]phenyl]quinoline).
What is the SMILES notation for tetrakis(dichloromethane);bis(6-(trifluoromethoxy)-8-[2,4,5-tris[6-(trifluoromethoxy)quinolin-8-yl]phenyl]quinoline)?
The canonical SMILES for tetrakis(dichloromethane);bis(6-(trifluoromethoxy)-8-[2,4,5-tris[6-(trifluoromethoxy)quinolin-8-yl]phenyl]quinoline) is ClCCl.ClCCl.ClCCl.ClCCl.FC(F)(F)Oc1cc(-c2cc(-c3cc(OC(F)(F)F)cc4cccnc34)c(-c3cc(OC(F)(F)F)cc4cccnc34)cc2-c2cc(OC(F)(F)F)cc3cccnc23)c2ncccc2c1.FC(F)(F)Oc1cc(-c2cc(-c3cc(OC(F)(F)F)cc4cccnc34)c(-c3cc(OC(F)(F)F)cc4cccnc34)cc2-c2cc(OC(F)(F)F)cc3cccnc23)c2ncccc2c1.
What is the InChIKey of tetrakis(dichloromethane);bis(6-(trifluoromethoxy)-8-[2,4,5-tris[6-(trifluoromethoxy)quinolin-8-yl]phenyl]quinoline)?
The InChIKey is HXAFISCXYPBAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C46H22F12N4O4.4CH2Cl2/c2*47-43(48,49)63-27-13-23-5-1-9-59-39(23)35(17-27)31-21-33(37-19-29(65-45(53,54)55)15-25-7-3-11-61-41(25)37)34(38-20-30(66-46(56,57)58)16-26-8-4-12-62-42(26)38)22-32(31)36-18-28(64-44(50,51)52)14-24-6-2-10-60-40(24)36;4*2-1-3/h2*1-22H;4*1H2.
What are the key properties of tetrakis(dichloromethane);bis(6-(trifluoromethoxy)-8-[2,4,5-tris[6-(trifluoromethoxy)quinolin-8-yl]phenyl]quinoline)?
tetrakis(dichloromethane);bis(6-(trifluoromethoxy)-8-[2,4,5-tris[6-(trifluoromethoxy)quinolin-8-yl]phenyl]quinoline) has a molecular weight of 2185.10 g/mol, XLogP of 33.97, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(dichloromethane);bis(6-(trifluoromethoxy)-8-[2,4,5-tris[6-(trifluoromethoxy)quinolin-8-yl]phenyl]quinoline) is sourced from PubChem (CID 139103622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).