1,5-dimethyl-2-[5-(2-methylphenyl)-4-[5-phenyl-2,4-bis(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]phenyl]-4-phenylbenzene;3-[2,4-dimethyl-5-[5-(2-methylphenyl)-4-[5-pyridin-3-yl-2,4-bis(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine;2-(2,6-dimethylphenyl)-6-[4-[6-(2,6-dimethylphenyl)-2-pyridinyl]-2,5-diphenylphenyl]pyridine

C138H100F18N4 — CID 91113990

IUPAC1,5-dimethyl-2-[5-(2-methylphenyl)-4-[5-phenyl-2,4-bis(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]phenyl]-4-phenylbenzene;3-[2,4-dimethyl-5-[5-(2-methylphenyl)-4-[5-pyridin-3-yl-2,4-bis(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine;2-(2,6-dimethylphenyl)-6-[4-[6-(2,6-dimethylphenyl)-2-pyridinyl]-2,5-diphenylphenyl]pyridine
SMILESCc1cc(C)c(-c2cc(-c3ccccc3C)c(-c3cc(-c4ccccc4)c(C(F)(F)F)cc3C(F)(F)F)cc2-c2ccccc2C(F)(F)F)cc1-c1ccccc1.Cc1cc(C)c(-c2cc(-c3ccccc3C)c(-c3cc(-c4cccnc4)c(C(F)(F)F)cc3C(F)(F)F)cc2-c2ccccc2C(F)(F)F)cc1-c1cccnc1.Cc1cccc(C)c1-c1cccc(-c2cc(-c3ccccc3)c(-c3cccc(-c4c(C)cccc4C)n3)cc2-c2ccccc2)n1
InChIInChI=1S/C48H33F9.C46H31F9N2.C44H36N2/c1-28-14-10-11-19-33(28)38-25-40(36-23-35(29(2)22-30(36)3)31-15-6-4-7-16-31)39(34-20-12-13-21-43(34)46(49,50)51)26-41(38)42-24-37(32-17-8-5-9-18-32)44(47(52,53)54)27-45(42)48(55,56)57;1-26-10-4-5-13-31(26)36-21-38(34-19-33(27(2)18-28(34)3)29-11-8-16-56-24-29)37(32-14-6-7-15-41(32)44(47,48)49)22-39(36)40-20-35(30-12-9-17-57-25-30)42(45(50,51)52)23-43(40)46(53,54)55;1-29-15-11-16-30(2)43(29)41-25-13-23-39(45-41)37-27-36(34-21-9-6-10-22-34)38(28-35(37)33-19-7-5-8-20-33)40-24-14-26-42(46-40)44-31(3)17-12-18-32(44)4/h4-27H,1-3H3;4-25H,1-3H3;5-28H,1-4H3
InChIKeyOQTIMPFQSHBXIX-UHFFFAOYSA-N
MW2156.31 g/mol
LogP41.84
Rot. Bonds18

About 1,5-dimethyl-2-[5-(2-methylphenyl)-4-[5-phenyl-2,4-bis(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]phenyl]-4-phenylbenzene;3-[2,4-dimethyl-5-[5-(2-methylphenyl)-4-[5-pyridin-3-yl-2,4-bis(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine;2-(2,6-dimethylphenyl)-6-[4-[6-(2,6-dimethylphenyl)-2-pyridinyl]-2,5-diphenylphenyl]pyridine

1,5-dimethyl-2-[5-(2-methylphenyl)-4-[5-phenyl-2,4-bis(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]phenyl]-4-phenylbenzene;3-[2,4-dimethyl-5-[5-(2-methylphenyl)-4-[5-pyridin-3-yl-2,4-bis(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine;2-(2,6-dimethylphenyl)-6-[4-[6-(2,6-dimethylphenyl)-2-pyridinyl]-2,5-diphenylphenyl]pyridine (PubChem CID 91113990) has the molecular formula C138H100F18N4 and a molecular weight of 2156.31 g/mol. Its IUPAC name is 1,5-dimethyl-2-[5-(2-methylphenyl)-4-[5-phenyl-2,4-bis(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]phenyl]-4-phenylbenzene;3-[2,4-dimethyl-5-[5-(2-methylphenyl)-4-[5-pyridin-3-yl-2,4-bis(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine;2-(2,6-dimethylphenyl)-6-[4-[6-(2,6-dimethylphenyl)-2-pyridinyl]-2,5-diphenylphenyl]pyridine.

Molecular Properties

Compound Name1,5-dimethyl-2-[5-(2-methylphenyl)-4-[5-phenyl-2,4-bis(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]phenyl]-4-phenylbenzene;3-[2,4-dimethyl-5-[5-(2-methylphenyl)-4-[5-pyridin-3-yl-2,4-bis(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine;2-(2,6-dimethylphenyl)-6-[4-[6-(2,6-dimethylphenyl)-2-pyridinyl]-2,5-diphenylphenyl]pyridine
PubChem CID91113990
Molecular FormulaC138H100F18N4
Molecular Weight2156.31 g/mol
Exact Mass2154.77
IUPAC Name1,5-dimethyl-2-[5-(2-methylphenyl)-4-[5-phenyl-2,4-bis(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]phenyl]-4-phenylbenzene;3-[2,4-dimethyl-5-[5-(2-methylphenyl)-4-[5-pyridin-3-yl-2,4-bis(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine;2-(2,6-dimethylphenyl)-6-[4-[6-(2,6-dimethylphenyl)-2-pyridinyl]-2,5-diphenylphenyl]pyridine
SMILESCc1cc(C)c(-c2cc(-c3ccccc3C)c(-c3cc(-c4ccccc4)c(C(F)(F)F)cc3C(F)(F)F)cc2-c2ccccc2C(F)(F)F)cc1-c1ccccc1.Cc1cc(C)c(-c2cc(-c3ccccc3C)c(-c3cc(-c4cccnc4)c(C(F)(F)F)cc3C(F)(F)F)cc2-c2ccccc2C(F)(F)F)cc1-c1cccnc1.Cc1cccc(C)c1-c1cccc(-c2cc(-c3ccccc3)c(-c3cccc(-c4c(C)cccc4C)n3)cc2-c2ccccc2)n1
InChIInChI=1S/C48H33F9.C46H31F9N2.C44H36N2/c1-28-14-10-11-19-33(28)38-25-40(36-23-35(29(2)22-30(36)3)31-15-6-4-7-16-31)39(34-20-12-13-21-43(34)46(49,50)51)26-41(38)42-24-37(32-17-8-5-9-18-32)44(47(52,53)54)27-45(42)48(55,56)57;1-26-10-4-5-13-31(26)36-21-38(34-19-33(27(2)18-28(34)3)29-11-8-16-56-24-29)37(32-14-6-7-15-41(32)44(47,48)49)22-39(36)40-20-35(30-12-9-17-57-25-30)42(45(50,51)52)23-43(40)46(53,54)55;1-29-15-11-16-30(2)43(29)41-25-13-23-39(45-41)37-27-36(34-21-9-6-10-22-34)38(28-35(37)33-19-7-5-8-20-33)40-24-14-26-42(46-40)44-31(3)17-12-18-32(44)4/h4-27H,1-3H3;4-25H,1-3H3;5-28H,1-4H3
InChIKeyOQTIMPFQSHBXIX-UHFFFAOYSA-N
XLogP41.84
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms160
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002156.31
LogP ≤ 541.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,5-dimethyl-2-[5-(2-methylphenyl)-4-[5-phenyl-2,4-bis(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]phenyl]-4-phenylbenzene;3-[2,4-dimethyl-5-[5-(2-methylphenyl)-4-[5-pyridin-3-yl-2,4-bis(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine;2-(2,6-dimethylphenyl)-6-[4-[6-(2,6-dimethylphenyl)-2-pyridinyl]-2,5-diphenylphenyl]pyridine with MolForge

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Related Compounds

1-[5-[3,5-Bis[5-(3-phenylpyridin-1-ium-1-yl)pentyl]phenyl]pentyl]-3-phenylpyridin-1-ium tribromide
CID 23729443
3-Phenyl-1-[5-[2,4,5-tris[5-(3-phenylpyridin-1-ium-1-yl)pent-1-ynyl]phenyl]pent-4-ynyl]pyridin-1-ium tetrabromide
CID 44158944
3-Benzyl-1-[5-[2,4,5-tris[5-(3-benzylpyridin-1-ium-1-yl)pentyl]phenyl]pentyl]pyridin-1-ium tetrabromide
CID 44159304
2-[5-[2,4,5-Tris(5-isoquinolin-2-ium-2-ylpentyl)phenyl]pentyl]isoquinolin-2-ium tetrabromide
CID 44159419
3-Phenyl-1-[5-[2,4,5-tris[5-(3-phenylpyridin-1-ium-1-yl)pentyl]phenyl]pentyl]pyridin-1-ium tetrabromide
CID 44159538
3-(2,2-Dipyridin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]pyridine
CID 66829417
Nemertelline
CID 3042423
(anthracen-9-yl)-N,N-bis((pyridin-2-yl)methyl)methanamine
CID 10079224
4'-(4-Methylphenyl)-2,2'-6',2''-terpyridine
CID 146114
1-[[3,5-Bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]-4-[1-[[3-[[4-[4-[[3,5-bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]phenyl]pyridin-1-ium-1-yl]methyl]-5-[[4-[1-[[3,5-bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium heptadecahexafluorophosphate
CID 46889633
1-[3,5-Bis[[4-[1-[[3,5-bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]-4-[1-[3,5-bis[[4-[1-[[3,5-bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium hexacosahexafluorophosphate
CID 46889635
Isoquinolinium, 1,1a(2)-[1,4-phenylenebis(methylene)]bis[2-methyl-8-(1-methylethyl)-, iodide (1:2)
CID 57390845

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-[5-(2-methylphenyl)-4-[5-phenyl-2,4-bis(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]phenyl]-4-phenylbenzene;3-[2,4-dimethyl-5-[5-(2-methylphenyl)-4-[5-pyridin-3-yl-2,4-bis(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine;2-(2,6-dimethylphenyl)-6-[4-[6-(2,6-dimethylphenyl)-2-pyridinyl]-2,5-diphenylphenyl]pyridine?
The IUPAC name of 1,5-dimethyl-2-[5-(2-methylphenyl)-4-[5-phenyl-2,4-bis(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]phenyl]-4-phenylbenzene;3-[2,4-dimethyl-5-[5-(2-methylphenyl)-4-[5-pyridin-3-yl-2,4-bis(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine;2-(2,6-dimethylphenyl)-6-[4-[6-(2,6-dimethylphenyl)-2-pyridinyl]-2,5-diphenylphenyl]pyridine (CID 91113990) is 1,5-dimethyl-2-[5-(2-methylphenyl)-4-[5-phenyl-2,4-bis(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]phenyl]-4-phenylbenzene;3-[2,4-dimethyl-5-[5-(2-methylphenyl)-4-[5-pyridin-3-yl-2,4-bis(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine;2-(2,6-dimethylphenyl)-6-[4-[6-(2,6-dimethylphenyl)-2-pyridinyl]-2,5-diphenylphenyl]pyridine.
What is the SMILES notation for 1,5-dimethyl-2-[5-(2-methylphenyl)-4-[5-phenyl-2,4-bis(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]phenyl]-4-phenylbenzene;3-[2,4-dimethyl-5-[5-(2-methylphenyl)-4-[5-pyridin-3-yl-2,4-bis(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine;2-(2,6-dimethylphenyl)-6-[4-[6-(2,6-dimethylphenyl)-2-pyridinyl]-2,5-diphenylphenyl]pyridine?
The canonical SMILES for 1,5-dimethyl-2-[5-(2-methylphenyl)-4-[5-phenyl-2,4-bis(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]phenyl]-4-phenylbenzene;3-[2,4-dimethyl-5-[5-(2-methylphenyl)-4-[5-pyridin-3-yl-2,4-bis(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine;2-(2,6-dimethylphenyl)-6-[4-[6-(2,6-dimethylphenyl)-2-pyridinyl]-2,5-diphenylphenyl]pyridine is Cc1cc(C)c(-c2cc(-c3ccccc3C)c(-c3cc(-c4ccccc4)c(C(F)(F)F)cc3C(F)(F)F)cc2-c2ccccc2C(F)(F)F)cc1-c1ccccc1.Cc1cc(C)c(-c2cc(-c3ccccc3C)c(-c3cc(-c4cccnc4)c(C(F)(F)F)cc3C(F)(F)F)cc2-c2ccccc2C(F)(F)F)cc1-c1cccnc1.Cc1cccc(C)c1-c1cccc(-c2cc(-c3ccccc3)c(-c3cccc(-c4c(C)cccc4C)n3)cc2-c2ccccc2)n1.
What is the InChIKey of 1,5-dimethyl-2-[5-(2-methylphenyl)-4-[5-phenyl-2,4-bis(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]phenyl]-4-phenylbenzene;3-[2,4-dimethyl-5-[5-(2-methylphenyl)-4-[5-pyridin-3-yl-2,4-bis(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine;2-(2,6-dimethylphenyl)-6-[4-[6-(2,6-dimethylphenyl)-2-pyridinyl]-2,5-diphenylphenyl]pyridine?
The InChIKey is OQTIMPFQSHBXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33F9.C46H31F9N2.C44H36N2/c1-28-14-10-11-19-33(28)38-25-40(36-23-35(29(2)22-30(36)3)31-15-6-4-7-16-31)39(34-20-12-13-21-43(34)46(49,50)51)26-41(38)42-24-37(32-17-8-5-9-18-32)44(47(52,53)54)27-45(42)48(55,56)57;1-26-10-4-5-13-31(26)36-21-38(34-19-33(27(2)18-28(34)3)29-11-8-16-56-24-29)37(32-14-6-7-15-41(32)44(47,48)49)22-39(36)40-20-35(30-12-9-17-57-25-30)42(45(50,51)52)23-43(40)46(53,54)55;1-29-15-11-16-30(2)43(29)41-25-13-23-39(45-41)37-27-36(34-21-9-6-10-22-34)38(28-35(37)33-19-7-5-8-20-33)40-24-14-26-42(46-40)44-31(3)17-12-18-32(44)4/h4-27H,1-3H3;4-25H,1-3H3;5-28H,1-4H3.
What are the key properties of 1,5-dimethyl-2-[5-(2-methylphenyl)-4-[5-phenyl-2,4-bis(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]phenyl]-4-phenylbenzene;3-[2,4-dimethyl-5-[5-(2-methylphenyl)-4-[5-pyridin-3-yl-2,4-bis(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine;2-(2,6-dimethylphenyl)-6-[4-[6-(2,6-dimethylphenyl)-2-pyridinyl]-2,5-diphenylphenyl]pyridine?
1,5-dimethyl-2-[5-(2-methylphenyl)-4-[5-phenyl-2,4-bis(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]phenyl]-4-phenylbenzene;3-[2,4-dimethyl-5-[5-(2-methylphenyl)-4-[5-pyridin-3-yl-2,4-bis(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine;2-(2,6-dimethylphenyl)-6-[4-[6-(2,6-dimethylphenyl)-2-pyridinyl]-2,5-diphenylphenyl]pyridine has a molecular weight of 2156.31 g/mol, XLogP of 41.84, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-[5-(2-methylphenyl)-4-[5-phenyl-2,4-bis(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]phenyl]-4-phenylbenzene;3-[2,4-dimethyl-5-[5-(2-methylphenyl)-4-[5-pyridin-3-yl-2,4-bis(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine;2-(2,6-dimethylphenyl)-6-[4-[6-(2,6-dimethylphenyl)-2-pyridinyl]-2,5-diphenylphenyl]pyridine is sourced from PubChem (CID 91113990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).