3-[4-methyl-3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]phenyl]-4-(trifluoromethyl)pyridine;4-methyl-3-[3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-4-(trifluoromethyl)phenyl]pyridine;1-[2-methyl-5-(2-methylphenyl)phenyl]-4-[2-methyl-5-[2-(trifluoromethyl)phenyl]phenyl]-2,5-diphenylbenzene

C134H101F9N4 — CID 90734549

IUPAC3-[4-methyl-3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]phenyl]-4-(trifluoromethyl)pyridine;4-methyl-3-[3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-4-(trifluoromethyl)phenyl]pyridine;1-[2-methyl-5-(2-methylphenyl)phenyl]-4-[2-methyl-5-[2-(trifluoromethyl)phenyl]phenyl]-2,5-diphenylbenzene
SMILESCc1ccccc1-c1ccc(C)c(-c2cc(-c3ccccc3)c(-c3cc(-c4ccccc4C(F)(F)F)ccc3C)cc2-c2ccccc2)c1.Cc1ccncc1-c1ccc(C)c(-c2cc(-c3ccccc3)c(-c3cc(-c4cnccc4C(F)(F)F)ccc3C)cc2-c2ccccc2)c1.Cc1ccncc1-c1ccc(C)c(-c2cc(-c3ccccc3)c(-c3cc(-c4cnccc4C)ccc3C(F)(F)F)cc2-c2ccccc2)c1
InChIInChI=1S/C46H35F3.2C44H33F3N2/c1-30-14-10-11-19-37(30)35-24-22-31(2)39(26-35)43-28-42(34-17-8-5-9-18-34)44(29-41(43)33-15-6-4-7-16-33)40-27-36(25-23-32(40)3)38-20-12-13-21-45(38)46(47,48)49;1-28-14-16-33(41-26-48-20-18-30(41)3)22-35(28)39-24-38(32-12-8-5-9-13-32)40(25-37(39)31-10-6-4-7-11-31)36-23-34(17-15-29(36)2)42-27-49-21-19-43(42)44(45,46)47;1-28-14-15-33(41-26-48-20-18-29(41)2)22-35(28)38-24-37(32-12-8-5-9-13-32)39(25-36(38)31-10-6-4-7-11-31)40-23-34(16-17-43(40)44(45,46)47)42-27-49-21-19-30(42)3/h4-29H,1-3H3;2*4-27H,1-3H3
InChIKeyTWOVOMDNUAERKJ-UHFFFAOYSA-N
MW1938.29 g/mol
LogP38.48
Rot. Bonds18

About 3-[4-methyl-3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]phenyl]-4-(trifluoromethyl)pyridine;4-methyl-3-[3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-4-(trifluoromethyl)phenyl]pyridine;1-[2-methyl-5-(2-methylphenyl)phenyl]-4-[2-methyl-5-[2-(trifluoromethyl)phenyl]phenyl]-2,5-diphenylbenzene

3-[4-methyl-3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]phenyl]-4-(trifluoromethyl)pyridine;4-methyl-3-[3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-4-(trifluoromethyl)phenyl]pyridine;1-[2-methyl-5-(2-methylphenyl)phenyl]-4-[2-methyl-5-[2-(trifluoromethyl)phenyl]phenyl]-2,5-diphenylbenzene (PubChem CID 90734549) has the molecular formula C134H101F9N4 and a molecular weight of 1938.29 g/mol. Its IUPAC name is 3-[4-methyl-3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]phenyl]-4-(trifluoromethyl)pyridine;4-methyl-3-[3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-4-(trifluoromethyl)phenyl]pyridine;1-[2-methyl-5-(2-methylphenyl)phenyl]-4-[2-methyl-5-[2-(trifluoromethyl)phenyl]phenyl]-2,5-diphenylbenzene.

Molecular Properties

Compound Name3-[4-methyl-3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]phenyl]-4-(trifluoromethyl)pyridine;4-methyl-3-[3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-4-(trifluoromethyl)phenyl]pyridine;1-[2-methyl-5-(2-methylphenyl)phenyl]-4-[2-methyl-5-[2-(trifluoromethyl)phenyl]phenyl]-2,5-diphenylbenzene
PubChem CID90734549
Molecular FormulaC134H101F9N4
Molecular Weight1938.29 g/mol
Exact Mass1936.79
IUPAC Name3-[4-methyl-3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]phenyl]-4-(trifluoromethyl)pyridine;4-methyl-3-[3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-4-(trifluoromethyl)phenyl]pyridine;1-[2-methyl-5-(2-methylphenyl)phenyl]-4-[2-methyl-5-[2-(trifluoromethyl)phenyl]phenyl]-2,5-diphenylbenzene
SMILESCc1ccccc1-c1ccc(C)c(-c2cc(-c3ccccc3)c(-c3cc(-c4ccccc4C(F)(F)F)ccc3C)cc2-c2ccccc2)c1.Cc1ccncc1-c1ccc(C)c(-c2cc(-c3ccccc3)c(-c3cc(-c4cnccc4C(F)(F)F)ccc3C)cc2-c2ccccc2)c1.Cc1ccncc1-c1ccc(C)c(-c2cc(-c3ccccc3)c(-c3cc(-c4cnccc4C)ccc3C(F)(F)F)cc2-c2ccccc2)c1
InChIInChI=1S/C46H35F3.2C44H33F3N2/c1-30-14-10-11-19-37(30)35-24-22-31(2)39(26-35)43-28-42(34-17-8-5-9-18-34)44(29-41(43)33-15-6-4-7-16-33)40-27-36(25-23-32(40)3)38-20-12-13-21-45(38)46(47,48)49;1-28-14-16-33(41-26-48-20-18-30(41)3)22-35(28)39-24-38(32-12-8-5-9-13-32)40(25-37(39)31-10-6-4-7-11-31)36-23-34(17-15-29(36)2)42-27-49-21-19-43(42)44(45,46)47;1-28-14-15-33(41-26-48-20-18-29(41)2)22-35(28)38-24-37(32-12-8-5-9-13-32)39(25-36(38)31-10-6-4-7-11-31)40-23-34(16-17-43(40)44(45,46)47)42-27-49-21-19-30(42)3/h4-29H,1-3H3;2*4-27H,1-3H3
InChIKeyTWOVOMDNUAERKJ-UHFFFAOYSA-N
XLogP38.48
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms147
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001938.29
LogP ≤ 538.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[4-methyl-3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]phenyl]-4-(trifluoromethyl)pyridine;4-methyl-3-[3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-4-(trifluoromethyl)phenyl]pyridine;1-[2-methyl-5-(2-methylphenyl)phenyl]-4-[2-methyl-5-[2-(trifluoromethyl)phenyl]phenyl]-2,5-diphenylbenzene 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

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
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
Cyclobis(paraquat-1,4-phenylene) Tetrakis(hexafluorophosphate)
CID 11040455

Frequently Asked Questions

What is the IUPAC name of 3-[4-methyl-3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]phenyl]-4-(trifluoromethyl)pyridine;4-methyl-3-[3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-4-(trifluoromethyl)phenyl]pyridine;1-[2-methyl-5-(2-methylphenyl)phenyl]-4-[2-methyl-5-[2-(trifluoromethyl)phenyl]phenyl]-2,5-diphenylbenzene?
The IUPAC name of 3-[4-methyl-3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]phenyl]-4-(trifluoromethyl)pyridine;4-methyl-3-[3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-4-(trifluoromethyl)phenyl]pyridine;1-[2-methyl-5-(2-methylphenyl)phenyl]-4-[2-methyl-5-[2-(trifluoromethyl)phenyl]phenyl]-2,5-diphenylbenzene (CID 90734549) is 3-[4-methyl-3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]phenyl]-4-(trifluoromethyl)pyridine;4-methyl-3-[3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-4-(trifluoromethyl)phenyl]pyridine;1-[2-methyl-5-(2-methylphenyl)phenyl]-4-[2-methyl-5-[2-(trifluoromethyl)phenyl]phenyl]-2,5-diphenylbenzene.
What is the SMILES notation for 3-[4-methyl-3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]phenyl]-4-(trifluoromethyl)pyridine;4-methyl-3-[3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-4-(trifluoromethyl)phenyl]pyridine;1-[2-methyl-5-(2-methylphenyl)phenyl]-4-[2-methyl-5-[2-(trifluoromethyl)phenyl]phenyl]-2,5-diphenylbenzene?
The canonical SMILES for 3-[4-methyl-3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]phenyl]-4-(trifluoromethyl)pyridine;4-methyl-3-[3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-4-(trifluoromethyl)phenyl]pyridine;1-[2-methyl-5-(2-methylphenyl)phenyl]-4-[2-methyl-5-[2-(trifluoromethyl)phenyl]phenyl]-2,5-diphenylbenzene is Cc1ccccc1-c1ccc(C)c(-c2cc(-c3ccccc3)c(-c3cc(-c4ccccc4C(F)(F)F)ccc3C)cc2-c2ccccc2)c1.Cc1ccncc1-c1ccc(C)c(-c2cc(-c3ccccc3)c(-c3cc(-c4cnccc4C(F)(F)F)ccc3C)cc2-c2ccccc2)c1.Cc1ccncc1-c1ccc(C)c(-c2cc(-c3ccccc3)c(-c3cc(-c4cnccc4C)ccc3C(F)(F)F)cc2-c2ccccc2)c1.
What is the InChIKey of 3-[4-methyl-3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]phenyl]-4-(trifluoromethyl)pyridine;4-methyl-3-[3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-4-(trifluoromethyl)phenyl]pyridine;1-[2-methyl-5-(2-methylphenyl)phenyl]-4-[2-methyl-5-[2-(trifluoromethyl)phenyl]phenyl]-2,5-diphenylbenzene?
The InChIKey is TWOVOMDNUAERKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H35F3.2C44H33F3N2/c1-30-14-10-11-19-37(30)35-24-22-31(2)39(26-35)43-28-42(34-17-8-5-9-18-34)44(29-41(43)33-15-6-4-7-16-33)40-27-36(25-23-32(40)3)38-20-12-13-21-45(38)46(47,48)49;1-28-14-16-33(41-26-48-20-18-30(41)3)22-35(28)39-24-38(32-12-8-5-9-13-32)40(25-37(39)31-10-6-4-7-11-31)36-23-34(17-15-29(36)2)42-27-49-21-19-43(42)44(45,46)47;1-28-14-15-33(41-26-48-20-18-29(41)2)22-35(28)38-24-37(32-12-8-5-9-13-32)39(25-36(38)31-10-6-4-7-11-31)40-23-34(16-17-43(40)44(45,46)47)42-27-49-21-19-30(42)3/h4-29H,1-3H3;2*4-27H,1-3H3.
What are the key properties of 3-[4-methyl-3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]phenyl]-4-(trifluoromethyl)pyridine;4-methyl-3-[3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-4-(trifluoromethyl)phenyl]pyridine;1-[2-methyl-5-(2-methylphenyl)phenyl]-4-[2-methyl-5-[2-(trifluoromethyl)phenyl]phenyl]-2,5-diphenylbenzene?
3-[4-methyl-3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]phenyl]-4-(trifluoromethyl)pyridine;4-methyl-3-[3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-4-(trifluoromethyl)phenyl]pyridine;1-[2-methyl-5-(2-methylphenyl)phenyl]-4-[2-methyl-5-[2-(trifluoromethyl)phenyl]phenyl]-2,5-diphenylbenzene has a molecular weight of 1938.29 g/mol, XLogP of 38.48, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methyl-3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]phenyl]-4-(trifluoromethyl)pyridine;4-methyl-3-[3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-4-(trifluoromethyl)phenyl]pyridine;1-[2-methyl-5-(2-methylphenyl)phenyl]-4-[2-methyl-5-[2-(trifluoromethyl)phenyl]phenyl]-2,5-diphenylbenzene is sourced from PubChem (CID 90734549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).