1,4-bis[2-methyl-5-(2-methylphenyl)phenyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]benzene;4-methyl-3-[4-methyl-3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine;3-[2,3,4,6-tetrafluoro-5-[2-(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine

C136H97F17N4 — CID 91574893

IUPAC1,4-bis[2-methyl-5-(2-methylphenyl)phenyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]benzene;4-methyl-3-[4-methyl-3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine;3-[2,3,4,6-tetrafluoro-5-[2-(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine
SMILESCc1ccccc1-c1cc(-c2c(F)c(F)c(F)c(-c3cccnc3)c2F)c(-c2ccccc2C(F)(F)F)cc1-c1c(F)c(F)c(F)c(-c2cccnc2)c1F.Cc1ccccc1-c1ccc(C)c(-c2cc(-c3ccccc3C(F)(F)F)c(-c3cc(-c4ccccc4C)ccc3C)cc2-c2ccccc2C)c1.Cc1ccncc1-c1ccc(C)c(-c2cc(-c3ccccc3C(F)(F)F)c(-c3cc(-c4cnccc4C)ccc3C)cc2-c2ccccc2C)c1
InChIInChI=1S/C48H39F3.C46H37F3N2.C42H21F11N2/c1-30-14-6-9-17-37(30)35-24-22-33(4)41(26-35)45-29-44(40-20-12-13-21-47(40)48(49,50)51)46(28-43(45)39-19-11-8-16-32(39)3)42-27-36(25-23-34(42)5)38-18-10-7-15-31(38)2;1-28-10-6-7-11-35(28)39-24-42(38-23-34(17-15-30(38)3)44-27-51-21-19-32(44)5)40(36-12-8-9-13-45(36)46(47,48)49)25-41(39)37-22-33(16-14-29(37)2)43-26-50-20-18-31(43)4;1-20-8-2-3-11-23(20)25-16-28(33-35(44)31(22-10-7-15-55-19-22)37(46)41(50)39(33)48)26(24-12-4-5-13-29(24)42(51,52)53)17-27(25)32-34(43)30(21-9-6-14-54-18-21)36(45)40(49)38(32)47/h6-29H,1-5H3;6-27H,1-5H3;2-19H,1H3
InChIKeyCFQUDGSLQWVGAY-UHFFFAOYSA-N
MW2110.27 g/mol
LogP40.21
Rot. Bonds18

About 1,4-bis[2-methyl-5-(2-methylphenyl)phenyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]benzene;4-methyl-3-[4-methyl-3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine;3-[2,3,4,6-tetrafluoro-5-[2-(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine

1,4-bis[2-methyl-5-(2-methylphenyl)phenyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]benzene;4-methyl-3-[4-methyl-3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine;3-[2,3,4,6-tetrafluoro-5-[2-(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine (PubChem CID 91574893) has the molecular formula C136H97F17N4 and a molecular weight of 2110.27 g/mol. Its IUPAC name is 1,4-bis[2-methyl-5-(2-methylphenyl)phenyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]benzene;4-methyl-3-[4-methyl-3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine;3-[2,3,4,6-tetrafluoro-5-[2-(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine.

Molecular Properties

Compound Name1,4-bis[2-methyl-5-(2-methylphenyl)phenyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]benzene;4-methyl-3-[4-methyl-3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine;3-[2,3,4,6-tetrafluoro-5-[2-(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine
PubChem CID91574893
Molecular FormulaC136H97F17N4
Molecular Weight2110.27 g/mol
Exact Mass2108.74
IUPAC Name1,4-bis[2-methyl-5-(2-methylphenyl)phenyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]benzene;4-methyl-3-[4-methyl-3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine;3-[2,3,4,6-tetrafluoro-5-[2-(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine
SMILESCc1ccccc1-c1cc(-c2c(F)c(F)c(F)c(-c3cccnc3)c2F)c(-c2ccccc2C(F)(F)F)cc1-c1c(F)c(F)c(F)c(-c2cccnc2)c1F.Cc1ccccc1-c1ccc(C)c(-c2cc(-c3ccccc3C(F)(F)F)c(-c3cc(-c4ccccc4C)ccc3C)cc2-c2ccccc2C)c1.Cc1ccncc1-c1ccc(C)c(-c2cc(-c3ccccc3C(F)(F)F)c(-c3cc(-c4cnccc4C)ccc3C)cc2-c2ccccc2C)c1
InChIInChI=1S/C48H39F3.C46H37F3N2.C42H21F11N2/c1-30-14-6-9-17-37(30)35-24-22-33(4)41(26-35)45-29-44(40-20-12-13-21-47(40)48(49,50)51)46(28-43(45)39-19-11-8-16-32(39)3)42-27-36(25-23-34(42)5)38-18-10-7-15-31(38)2;1-28-10-6-7-11-35(28)39-24-42(38-23-34(17-15-30(38)3)44-27-51-21-19-32(44)5)40(36-12-8-9-13-45(36)46(47,48)49)25-41(39)37-22-33(16-14-29(37)2)43-26-50-20-18-31(43)4;1-20-8-2-3-11-23(20)25-16-28(33-35(44)31(22-10-7-15-55-19-22)37(46)41(50)39(33)48)26(24-12-4-5-13-29(24)42(51,52)53)17-27(25)32-34(43)30(21-9-6-14-54-18-21)36(45)40(49)38(32)47/h6-29H,1-5H3;6-27H,1-5H3;2-19H,1H3
InChIKeyCFQUDGSLQWVGAY-UHFFFAOYSA-N
XLogP40.21
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms157
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002110.27
LogP ≤ 540.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1,4-bis[2-methyl-5-(2-methylphenyl)phenyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]benzene;4-methyl-3-[4-methyl-3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine;3-[2,3,4,6-tetrafluoro-5-[2-(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]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
1-[5-[3,5-Bis[5-(3-phenylpyridin-1-ium-1-yl)pent-1-ynyl]phenyl]pent-4-ynyl]-3-phenylpyridin-1-ium tribromide
CID 23729371
Isoquinolinium, 2,2a(2),2a(2)a(2)-(1,3,5-benzenetriyltri-5,1-pentanediyl)tris-, bromide (1:3)
CID 23729447
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
3-[2-[4-Fluoro-2-[3-(trifluoromethyl)phenyl]phenyl]-1-pyridin-3-ylethyl]pyridine
CID 67264841
(E)-4-(3-fluoro-5-(4-(pyridin-4-yl)styryl)phenyl)pyridine
CID 121481848
4-(3-Fluoro-5-(4-(pyridin-4-yl)phenethyl)phenyl)pyridine
CID 121481872

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[2-methyl-5-(2-methylphenyl)phenyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]benzene;4-methyl-3-[4-methyl-3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine;3-[2,3,4,6-tetrafluoro-5-[2-(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine?
The IUPAC name of 1,4-bis[2-methyl-5-(2-methylphenyl)phenyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]benzene;4-methyl-3-[4-methyl-3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine;3-[2,3,4,6-tetrafluoro-5-[2-(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine (CID 91574893) is 1,4-bis[2-methyl-5-(2-methylphenyl)phenyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]benzene;4-methyl-3-[4-methyl-3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine;3-[2,3,4,6-tetrafluoro-5-[2-(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine.
What is the SMILES notation for 1,4-bis[2-methyl-5-(2-methylphenyl)phenyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]benzene;4-methyl-3-[4-methyl-3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine;3-[2,3,4,6-tetrafluoro-5-[2-(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine?
The canonical SMILES for 1,4-bis[2-methyl-5-(2-methylphenyl)phenyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]benzene;4-methyl-3-[4-methyl-3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine;3-[2,3,4,6-tetrafluoro-5-[2-(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine is Cc1ccccc1-c1cc(-c2c(F)c(F)c(F)c(-c3cccnc3)c2F)c(-c2ccccc2C(F)(F)F)cc1-c1c(F)c(F)c(F)c(-c2cccnc2)c1F.Cc1ccccc1-c1ccc(C)c(-c2cc(-c3ccccc3C(F)(F)F)c(-c3cc(-c4ccccc4C)ccc3C)cc2-c2ccccc2C)c1.Cc1ccncc1-c1ccc(C)c(-c2cc(-c3ccccc3C(F)(F)F)c(-c3cc(-c4cnccc4C)ccc3C)cc2-c2ccccc2C)c1.
What is the InChIKey of 1,4-bis[2-methyl-5-(2-methylphenyl)phenyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]benzene;4-methyl-3-[4-methyl-3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine;3-[2,3,4,6-tetrafluoro-5-[2-(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine?
The InChIKey is CFQUDGSLQWVGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H39F3.C46H37F3N2.C42H21F11N2/c1-30-14-6-9-17-37(30)35-24-22-33(4)41(26-35)45-29-44(40-20-12-13-21-47(40)48(49,50)51)46(28-43(45)39-19-11-8-16-32(39)3)42-27-36(25-23-34(42)5)38-18-10-7-15-31(38)2;1-28-10-6-7-11-35(28)39-24-42(38-23-34(17-15-30(38)3)44-27-51-21-19-32(44)5)40(36-12-8-9-13-45(36)46(47,48)49)25-41(39)37-22-33(16-14-29(37)2)43-26-50-20-18-31(43)4;1-20-8-2-3-11-23(20)25-16-28(33-35(44)31(22-10-7-15-55-19-22)37(46)41(50)39(33)48)26(24-12-4-5-13-29(24)42(51,52)53)17-27(25)32-34(43)30(21-9-6-14-54-18-21)36(45)40(49)38(32)47/h6-29H,1-5H3;6-27H,1-5H3;2-19H,1H3.
What are the key properties of 1,4-bis[2-methyl-5-(2-methylphenyl)phenyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]benzene;4-methyl-3-[4-methyl-3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine;3-[2,3,4,6-tetrafluoro-5-[2-(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine?
1,4-bis[2-methyl-5-(2-methylphenyl)phenyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]benzene;4-methyl-3-[4-methyl-3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine;3-[2,3,4,6-tetrafluoro-5-[2-(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine has a molecular weight of 2110.27 g/mol, XLogP of 40.21, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[2-methyl-5-(2-methylphenyl)phenyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]benzene;4-methyl-3-[4-methyl-3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine;3-[2,3,4,6-tetrafluoro-5-[2-(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine is sourced from PubChem (CID 91574893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).