1-[4-(2,4-dimethyl-5-phenylphenyl)-2,5-diphenylphenyl]-5-phenyl-2,4-bis(trifluoromethyl)benzene;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-diphenylphenyl]-2,4-bis(trifluoromethyl)phenyl]pyridine;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-diphenylphenyl]-2,4-dimethylphenyl]pyridine

C134H98F12N4 — CID 90865109

IUPAC1-[4-(2,4-dimethyl-5-phenylphenyl)-2,5-diphenylphenyl]-5-phenyl-2,4-bis(trifluoromethyl)benzene;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-diphenylphenyl]-2,4-bis(trifluoromethyl)phenyl]pyridine;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-diphenylphenyl]-2,4-dimethylphenyl]pyridine
SMILESCc1cc(C)c(-c2cc(-c3ccccc3)c(-c3cc(-c4ccccc4)c(C(F)(F)F)cc3C(F)(F)F)cc2-c2ccccc2)cc1-c1ccccc1.Cc1cc(C)c(-c2cc(-c3ccccc3)c(-c3cc(-c4cccnc4)c(C(F)(F)F)cc3C(F)(F)F)cc2-c2ccccc2)cc1-c1cccnc1.Cc1cc(C)c(-c2cc(-c3ccccc3)c(-c3cc(-c4cccnc4)c(C)cc3C)cc2-c2ccccc2)cc1-c1cccnc1
InChIInChI=1S/C46H32F6.C44H30F6N2.C44H36N2/c1-29-23-30(2)36(24-35(29)31-15-7-3-8-16-31)40-25-38(33-19-11-5-12-20-33)41(26-37(40)32-17-9-4-10-18-32)42-27-39(34-21-13-6-14-22-34)43(45(47,48)49)28-44(42)46(50,51)52;1-27-19-28(2)34(20-33(27)31-15-9-17-51-25-31)38-21-36(30-13-7-4-8-14-30)39(22-35(38)29-11-5-3-6-12-29)40-23-37(32-16-10-18-52-26-32)41(43(45,46)47)24-42(40)44(48,49)50;1-29-21-31(3)39(23-37(29)35-17-11-19-45-27-35)43-25-42(34-15-9-6-10-16-34)44(26-41(43)33-13-7-5-8-14-33)40-24-38(30(2)22-32(40)4)36-18-12-20-46-28-36/h3-28H,1-2H3;3-26H,1-2H3;5-28H,1-4H3
InChIKeyJVWFNHHMUXMEHI-UHFFFAOYSA-N
MW1992.26 g/mol
LogP39.19
Rot. Bonds18

About 1-[4-(2,4-dimethyl-5-phenylphenyl)-2,5-diphenylphenyl]-5-phenyl-2,4-bis(trifluoromethyl)benzene;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-diphenylphenyl]-2,4-bis(trifluoromethyl)phenyl]pyridine;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-diphenylphenyl]-2,4-dimethylphenyl]pyridine

1-[4-(2,4-dimethyl-5-phenylphenyl)-2,5-diphenylphenyl]-5-phenyl-2,4-bis(trifluoromethyl)benzene;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-diphenylphenyl]-2,4-bis(trifluoromethyl)phenyl]pyridine;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-diphenylphenyl]-2,4-dimethylphenyl]pyridine (PubChem CID 90865109) has the molecular formula C134H98F12N4 and a molecular weight of 1992.26 g/mol. Its IUPAC name is 1-[4-(2,4-dimethyl-5-phenylphenyl)-2,5-diphenylphenyl]-5-phenyl-2,4-bis(trifluoromethyl)benzene;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-diphenylphenyl]-2,4-bis(trifluoromethyl)phenyl]pyridine;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-diphenylphenyl]-2,4-dimethylphenyl]pyridine.

Molecular Properties

Compound Name1-[4-(2,4-dimethyl-5-phenylphenyl)-2,5-diphenylphenyl]-5-phenyl-2,4-bis(trifluoromethyl)benzene;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-diphenylphenyl]-2,4-bis(trifluoromethyl)phenyl]pyridine;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-diphenylphenyl]-2,4-dimethylphenyl]pyridine
PubChem CID90865109
Molecular FormulaC134H98F12N4
Molecular Weight1992.26 g/mol
Exact Mass1990.76
IUPAC Name1-[4-(2,4-dimethyl-5-phenylphenyl)-2,5-diphenylphenyl]-5-phenyl-2,4-bis(trifluoromethyl)benzene;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-diphenylphenyl]-2,4-bis(trifluoromethyl)phenyl]pyridine;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-diphenylphenyl]-2,4-dimethylphenyl]pyridine
SMILESCc1cc(C)c(-c2cc(-c3ccccc3)c(-c3cc(-c4ccccc4)c(C(F)(F)F)cc3C(F)(F)F)cc2-c2ccccc2)cc1-c1ccccc1.Cc1cc(C)c(-c2cc(-c3ccccc3)c(-c3cc(-c4cccnc4)c(C(F)(F)F)cc3C(F)(F)F)cc2-c2ccccc2)cc1-c1cccnc1.Cc1cc(C)c(-c2cc(-c3ccccc3)c(-c3cc(-c4cccnc4)c(C)cc3C)cc2-c2ccccc2)cc1-c1cccnc1
InChIInChI=1S/C46H32F6.C44H30F6N2.C44H36N2/c1-29-23-30(2)36(24-35(29)31-15-7-3-8-16-31)40-25-38(33-19-11-5-12-20-33)41(26-37(40)32-17-9-4-10-18-32)42-27-39(34-21-13-6-14-22-34)43(45(47,48)49)28-44(42)46(50,51)52;1-27-19-28(2)34(20-33(27)31-15-9-17-51-25-31)38-21-36(30-13-7-4-8-14-30)39(22-35(38)29-11-5-3-6-12-29)40-23-37(32-16-10-18-52-26-32)41(43(45,46)47)24-42(40)44(48,49)50;1-29-21-31(3)39(23-37(29)35-17-11-19-45-27-35)43-25-42(34-15-9-6-10-16-34)44(26-41(43)33-13-7-5-8-14-33)40-24-38(30(2)22-32(40)4)36-18-12-20-46-28-36/h3-28H,1-2H3;3-26H,1-2H3;5-28H,1-4H3
InChIKeyJVWFNHHMUXMEHI-UHFFFAOYSA-N
XLogP39.19
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms150
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001992.26
LogP ≤ 539.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2,4-dimethyl-5-phenylphenyl)-2,5-diphenylphenyl]-5-phenyl-2,4-bis(trifluoromethyl)benzene;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-diphenylphenyl]-2,4-bis(trifluoromethyl)phenyl]pyridine;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-diphenylphenyl]-2,4-dimethylphenyl]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
3-[1-Pyridin-3-yl-2-(2-pyridin-4-ylphenyl)ethyl]pyridine
CID 67264950
3-[2-(2,2-Dipyridin-3-ylethyl)phenyl]pyridine
CID 67265132
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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dimethyl-5-phenylphenyl)-2,5-diphenylphenyl]-5-phenyl-2,4-bis(trifluoromethyl)benzene;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-diphenylphenyl]-2,4-bis(trifluoromethyl)phenyl]pyridine;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-diphenylphenyl]-2,4-dimethylphenyl]pyridine?
The IUPAC name of 1-[4-(2,4-dimethyl-5-phenylphenyl)-2,5-diphenylphenyl]-5-phenyl-2,4-bis(trifluoromethyl)benzene;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-diphenylphenyl]-2,4-bis(trifluoromethyl)phenyl]pyridine;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-diphenylphenyl]-2,4-dimethylphenyl]pyridine (CID 90865109) is 1-[4-(2,4-dimethyl-5-phenylphenyl)-2,5-diphenylphenyl]-5-phenyl-2,4-bis(trifluoromethyl)benzene;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-diphenylphenyl]-2,4-bis(trifluoromethyl)phenyl]pyridine;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-diphenylphenyl]-2,4-dimethylphenyl]pyridine.
What is the SMILES notation for 1-[4-(2,4-dimethyl-5-phenylphenyl)-2,5-diphenylphenyl]-5-phenyl-2,4-bis(trifluoromethyl)benzene;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-diphenylphenyl]-2,4-bis(trifluoromethyl)phenyl]pyridine;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-diphenylphenyl]-2,4-dimethylphenyl]pyridine?
The canonical SMILES for 1-[4-(2,4-dimethyl-5-phenylphenyl)-2,5-diphenylphenyl]-5-phenyl-2,4-bis(trifluoromethyl)benzene;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-diphenylphenyl]-2,4-bis(trifluoromethyl)phenyl]pyridine;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-diphenylphenyl]-2,4-dimethylphenyl]pyridine is Cc1cc(C)c(-c2cc(-c3ccccc3)c(-c3cc(-c4ccccc4)c(C(F)(F)F)cc3C(F)(F)F)cc2-c2ccccc2)cc1-c1ccccc1.Cc1cc(C)c(-c2cc(-c3ccccc3)c(-c3cc(-c4cccnc4)c(C(F)(F)F)cc3C(F)(F)F)cc2-c2ccccc2)cc1-c1cccnc1.Cc1cc(C)c(-c2cc(-c3ccccc3)c(-c3cc(-c4cccnc4)c(C)cc3C)cc2-c2ccccc2)cc1-c1cccnc1.
What is the InChIKey of 1-[4-(2,4-dimethyl-5-phenylphenyl)-2,5-diphenylphenyl]-5-phenyl-2,4-bis(trifluoromethyl)benzene;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-diphenylphenyl]-2,4-bis(trifluoromethyl)phenyl]pyridine;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-diphenylphenyl]-2,4-dimethylphenyl]pyridine?
The InChIKey is JVWFNHHMUXMEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32F6.C44H30F6N2.C44H36N2/c1-29-23-30(2)36(24-35(29)31-15-7-3-8-16-31)40-25-38(33-19-11-5-12-20-33)41(26-37(40)32-17-9-4-10-18-32)42-27-39(34-21-13-6-14-22-34)43(45(47,48)49)28-44(42)46(50,51)52;1-27-19-28(2)34(20-33(27)31-15-9-17-51-25-31)38-21-36(30-13-7-4-8-14-30)39(22-35(38)29-11-5-3-6-12-29)40-23-37(32-16-10-18-52-26-32)41(43(45,46)47)24-42(40)44(48,49)50;1-29-21-31(3)39(23-37(29)35-17-11-19-45-27-35)43-25-42(34-15-9-6-10-16-34)44(26-41(43)33-13-7-5-8-14-33)40-24-38(30(2)22-32(40)4)36-18-12-20-46-28-36/h3-28H,1-2H3;3-26H,1-2H3;5-28H,1-4H3.
What are the key properties of 1-[4-(2,4-dimethyl-5-phenylphenyl)-2,5-diphenylphenyl]-5-phenyl-2,4-bis(trifluoromethyl)benzene;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-diphenylphenyl]-2,4-bis(trifluoromethyl)phenyl]pyridine;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-diphenylphenyl]-2,4-dimethylphenyl]pyridine?
1-[4-(2,4-dimethyl-5-phenylphenyl)-2,5-diphenylphenyl]-5-phenyl-2,4-bis(trifluoromethyl)benzene;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-diphenylphenyl]-2,4-bis(trifluoromethyl)phenyl]pyridine;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-diphenylphenyl]-2,4-dimethylphenyl]pyridine has a molecular weight of 1992.26 g/mol, XLogP of 39.19, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dimethyl-5-phenylphenyl)-2,5-diphenylphenyl]-5-phenyl-2,4-bis(trifluoromethyl)benzene;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-diphenylphenyl]-2,4-bis(trifluoromethyl)phenyl]pyridine;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-diphenylphenyl]-2,4-dimethylphenyl]pyridine is sourced from PubChem (CID 90865109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).