2-[2,5-bis(2-methylphenyl)-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]phenyl]-6-pyridin-2-ylpyridine;2-[6-[2,5-bis(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-(trifluoromethyl)pyridine;2-[2-(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-6-pyridin-2-ylpyridine

C122H88F6N12 — CID 91578955

IUPAC2-[2,5-bis(2-methylphenyl)-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]phenyl]-6-pyridin-2-ylpyridine;2-[6-[2,5-bis(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-(trifluoromethyl)pyridine;2-[2-(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-6-pyridin-2-ylpyridine
SMILESCc1ccccc1-c1cc(-c2cccc(-c3ccccn3)n2)c(-c2ccccc2C(F)(F)F)cc1-c1cccc(-c2ccccn2)n1.Cc1ccccc1-c1cc(-c2cccc(-c3ncccc3C(F)(F)F)n2)c(-c2ccccc2C)cc1-c1cccc(-c2ccccn2)n1.Cc1ccccc1-c1cc(-c2cccc(-c3ncccc3C)n2)c(-c2ccccc2C)cc1-c1cccc(-c2ccccn2)n1
InChIInChI=1S/C41H29F3N4.C41H32N4.C40H27F3N4/c1-26-12-3-5-14-28(26)30-25-33(36-19-10-21-39(48-36)40-34(41(42,43)44)16-11-23-46-40)31(29-15-6-4-13-27(29)2)24-32(30)35-18-9-20-38(47-35)37-17-7-8-22-45-37;1-27-13-4-6-16-30(27)32-26-35(37-20-11-22-40(45-37)41-29(3)15-12-24-43-41)33(31-17-7-5-14-28(31)2)25-34(32)36-19-10-21-39(44-36)38-18-8-9-23-42-38;1-26-12-2-3-13-27(26)29-24-32(35-19-11-21-39(47-35)37-17-7-9-23-45-37)30(28-14-4-5-15-33(28)40(41,42)43)25-31(29)34-18-10-20-38(46-34)36-16-6-8-22-44-36/h3-25H,1-2H3;4-26H,1-3H3;2-25H,1H3
InChIKeyMDCOVARIWDLRJB-UHFFFAOYSA-N
MW1836.12 g/mol
LogP31.69
Rot. Bonds18

About 2-[2,5-bis(2-methylphenyl)-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]phenyl]-6-pyridin-2-ylpyridine;2-[6-[2,5-bis(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-(trifluoromethyl)pyridine;2-[2-(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-6-pyridin-2-ylpyridine

2-[2,5-bis(2-methylphenyl)-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]phenyl]-6-pyridin-2-ylpyridine;2-[6-[2,5-bis(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-(trifluoromethyl)pyridine;2-[2-(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-6-pyridin-2-ylpyridine (PubChem CID 91578955) has the molecular formula C122H88F6N12 and a molecular weight of 1836.12 g/mol. Its IUPAC name is 2-[2,5-bis(2-methylphenyl)-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]phenyl]-6-pyridin-2-ylpyridine;2-[6-[2,5-bis(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-(trifluoromethyl)pyridine;2-[2-(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-6-pyridin-2-ylpyridine.

Molecular Properties

Compound Name2-[2,5-bis(2-methylphenyl)-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]phenyl]-6-pyridin-2-ylpyridine;2-[6-[2,5-bis(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-(trifluoromethyl)pyridine;2-[2-(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-6-pyridin-2-ylpyridine
PubChem CID91578955
Molecular FormulaC122H88F6N12
Molecular Weight1836.12 g/mol
Exact Mass1834.72
IUPAC Name2-[2,5-bis(2-methylphenyl)-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]phenyl]-6-pyridin-2-ylpyridine;2-[6-[2,5-bis(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-(trifluoromethyl)pyridine;2-[2-(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-6-pyridin-2-ylpyridine
SMILESCc1ccccc1-c1cc(-c2cccc(-c3ccccn3)n2)c(-c2ccccc2C(F)(F)F)cc1-c1cccc(-c2ccccn2)n1.Cc1ccccc1-c1cc(-c2cccc(-c3ncccc3C(F)(F)F)n2)c(-c2ccccc2C)cc1-c1cccc(-c2ccccn2)n1.Cc1ccccc1-c1cc(-c2cccc(-c3ncccc3C)n2)c(-c2ccccc2C)cc1-c1cccc(-c2ccccn2)n1
InChIInChI=1S/C41H29F3N4.C41H32N4.C40H27F3N4/c1-26-12-3-5-14-28(26)30-25-33(36-19-10-21-39(48-36)40-34(41(42,43)44)16-11-23-46-40)31(29-15-6-4-13-27(29)2)24-32(30)35-18-9-20-38(47-35)37-17-7-8-22-45-37;1-27-13-4-6-16-30(27)32-26-35(37-20-11-22-40(45-37)41-29(3)15-12-24-43-41)33(31-17-7-5-14-28(31)2)25-34(32)36-19-10-21-39(44-36)38-18-8-9-23-42-38;1-26-12-2-3-13-27(26)29-24-32(35-19-11-21-39(47-35)37-17-7-9-23-45-37)30(28-14-4-5-15-33(28)40(41,42)43)25-31(29)34-18-10-20-38(46-34)36-16-6-8-22-44-36/h3-25H,1-2H3;4-26H,1-3H3;2-25H,1H3
InChIKeyMDCOVARIWDLRJB-UHFFFAOYSA-N
XLogP31.69
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001836.12
LogP ≤ 531.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[2,5-bis(2-methylphenyl)-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]phenyl]-6-pyridin-2-ylpyridine;2-[6-[2,5-bis(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-(trifluoromethyl)pyridine;2-[2-(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-6-pyridin-2-ylpyridine 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

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
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
4-(4-Methylphenyl)-2-(6-(2-pyridyl)(2-pyridyl))pyridine
CID 20787103
Pyridoclax
CID 92042827
1,4-Di((2,2':6',2''-terpyridin)-4'-yl)benzene
CID 5103711
1,2-Bis(4'-methyl-2,2'-bipyridin-4-yl)ethane
CID 15771932

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-bis(2-methylphenyl)-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]phenyl]-6-pyridin-2-ylpyridine;2-[6-[2,5-bis(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-(trifluoromethyl)pyridine;2-[2-(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-6-pyridin-2-ylpyridine?
The IUPAC name of 2-[2,5-bis(2-methylphenyl)-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]phenyl]-6-pyridin-2-ylpyridine;2-[6-[2,5-bis(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-(trifluoromethyl)pyridine;2-[2-(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-6-pyridin-2-ylpyridine (CID 91578955) is 2-[2,5-bis(2-methylphenyl)-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]phenyl]-6-pyridin-2-ylpyridine;2-[6-[2,5-bis(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-(trifluoromethyl)pyridine;2-[2-(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-6-pyridin-2-ylpyridine.
What is the SMILES notation for 2-[2,5-bis(2-methylphenyl)-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]phenyl]-6-pyridin-2-ylpyridine;2-[6-[2,5-bis(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-(trifluoromethyl)pyridine;2-[2-(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-6-pyridin-2-ylpyridine?
The canonical SMILES for 2-[2,5-bis(2-methylphenyl)-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]phenyl]-6-pyridin-2-ylpyridine;2-[6-[2,5-bis(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-(trifluoromethyl)pyridine;2-[2-(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-6-pyridin-2-ylpyridine is Cc1ccccc1-c1cc(-c2cccc(-c3ccccn3)n2)c(-c2ccccc2C(F)(F)F)cc1-c1cccc(-c2ccccn2)n1.Cc1ccccc1-c1cc(-c2cccc(-c3ncccc3C(F)(F)F)n2)c(-c2ccccc2C)cc1-c1cccc(-c2ccccn2)n1.Cc1ccccc1-c1cc(-c2cccc(-c3ncccc3C)n2)c(-c2ccccc2C)cc1-c1cccc(-c2ccccn2)n1.
What is the InChIKey of 2-[2,5-bis(2-methylphenyl)-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]phenyl]-6-pyridin-2-ylpyridine;2-[6-[2,5-bis(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-(trifluoromethyl)pyridine;2-[2-(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-6-pyridin-2-ylpyridine?
The InChIKey is MDCOVARIWDLRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29F3N4.C41H32N4.C40H27F3N4/c1-26-12-3-5-14-28(26)30-25-33(36-19-10-21-39(48-36)40-34(41(42,43)44)16-11-23-46-40)31(29-15-6-4-13-27(29)2)24-32(30)35-18-9-20-38(47-35)37-17-7-8-22-45-37;1-27-13-4-6-16-30(27)32-26-35(37-20-11-22-40(45-37)41-29(3)15-12-24-43-41)33(31-17-7-5-14-28(31)2)25-34(32)36-19-10-21-39(44-36)38-18-8-9-23-42-38;1-26-12-2-3-13-27(26)29-24-32(35-19-11-21-39(47-35)37-17-7-9-23-45-37)30(28-14-4-5-15-33(28)40(41,42)43)25-31(29)34-18-10-20-38(46-34)36-16-6-8-22-44-36/h3-25H,1-2H3;4-26H,1-3H3;2-25H,1H3.
What are the key properties of 2-[2,5-bis(2-methylphenyl)-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]phenyl]-6-pyridin-2-ylpyridine;2-[6-[2,5-bis(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-(trifluoromethyl)pyridine;2-[2-(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-6-pyridin-2-ylpyridine?
2-[2,5-bis(2-methylphenyl)-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]phenyl]-6-pyridin-2-ylpyridine;2-[6-[2,5-bis(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-(trifluoromethyl)pyridine;2-[2-(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-6-pyridin-2-ylpyridine has a molecular weight of 1836.12 g/mol, XLogP of 31.69, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-bis(2-methylphenyl)-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]phenyl]-6-pyridin-2-ylpyridine;2-[6-[2,5-bis(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-(trifluoromethyl)pyridine;2-[2-(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-6-pyridin-2-ylpyridine is sourced from PubChem (CID 91578955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).