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

C118H83F3N12 — CID 161425673

IUPAC2-[2,5-bis(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine;2-[6-[2,5-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-methylpyridine;2-[6-[2,5-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-(trifluoromethyl)pyridine
SMILESCc1ccccc1-c1cc(-c2cccc(-c3ccccn3)n2)c(-c2ccccc2C)cc1-c1cccc(-c2ccccn2)n1.Cc1cccnc1-c1cccc(-c2cc(-c3ccccc3)c(-c3cccc(-c4ccccn4)n3)cc2-c2ccccc2)n1.FC(F)(F)c1cccnc1-c1cccc(-c2cc(-c3ccccc3)c(-c3cccc(-c4ccccn4)n3)cc2-c2ccccc2)n1
InChIInChI=1S/C40H30N4.C39H25F3N4.C39H28N4/c1-27-13-3-5-15-29(27)31-25-34(36-20-12-22-40(44-36)38-18-8-10-24-42-38)32(30-16-6-4-14-28(30)2)26-33(31)35-19-11-21-39(43-35)37-17-7-9-23-41-37;40-39(41,42)32-16-11-23-44-38(32)37-21-10-19-34(46-37)31-25-28(26-12-3-1-4-13-26)30(24-29(31)27-14-5-2-6-15-27)33-18-9-20-36(45-33)35-17-7-8-22-43-35;1-27-13-12-24-41-39(27)38-22-11-20-35(43-38)33-26-30(28-14-4-2-5-15-28)32(25-31(33)29-16-6-3-7-17-29)34-19-10-21-37(42-34)36-18-8-9-23-40-36/h3-26H,1-2H3;1-25H;2-26H,1H3
InChIKeyVXIBFPIXBCSZFG-UHFFFAOYSA-N
MW1726.04 g/mol
LogP29.75
Rot. Bonds18

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

2-[2,5-bis(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine;2-[6-[2,5-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-methylpyridine;2-[6-[2,5-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-(trifluoromethyl)pyridine (PubChem CID 161425673) has the molecular formula C118H83F3N12 and a molecular weight of 1726.04 g/mol. Its IUPAC name is 2-[2,5-bis(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine;2-[6-[2,5-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-methylpyridine;2-[6-[2,5-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[2,5-bis(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine;2-[6-[2,5-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-methylpyridine;2-[6-[2,5-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-(trifluoromethyl)pyridine
PubChem CID161425673
Molecular FormulaC118H83F3N12
Molecular Weight1726.04 g/mol
Exact Mass1724.68
IUPAC Name2-[2,5-bis(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine;2-[6-[2,5-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-methylpyridine;2-[6-[2,5-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-(trifluoromethyl)pyridine
SMILESCc1ccccc1-c1cc(-c2cccc(-c3ccccn3)n2)c(-c2ccccc2C)cc1-c1cccc(-c2ccccn2)n1.Cc1cccnc1-c1cccc(-c2cc(-c3ccccc3)c(-c3cccc(-c4ccccn4)n3)cc2-c2ccccc2)n1.FC(F)(F)c1cccnc1-c1cccc(-c2cc(-c3ccccc3)c(-c3cccc(-c4ccccn4)n3)cc2-c2ccccc2)n1
InChIInChI=1S/C40H30N4.C39H25F3N4.C39H28N4/c1-27-13-3-5-15-29(27)31-25-34(36-20-12-22-40(44-36)38-18-8-10-24-42-38)32(30-16-6-4-14-28(30)2)26-33(31)35-19-11-21-39(43-35)37-17-7-9-23-41-37;40-39(41,42)32-16-11-23-44-38(32)37-21-10-19-34(46-37)31-25-28(26-12-3-1-4-13-26)30(24-29(31)27-14-5-2-6-15-27)33-18-9-20-36(45-33)35-17-7-8-22-43-35;1-27-13-12-24-41-39(27)38-22-11-20-35(43-38)33-26-30(28-14-4-2-5-15-28)32(25-31(33)29-16-6-3-7-17-29)34-19-10-21-37(42-34)36-18-8-9-23-40-36/h3-26H,1-2H3;1-25H;2-26H,1H3
InChIKeyVXIBFPIXBCSZFG-UHFFFAOYSA-N
XLogP29.75
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001726.04
LogP ≤ 529.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2,5-bis(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine;2-[6-[2,5-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-methylpyridine;2-[6-[2,5-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-[2,5-bis(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine;2-[6-[2,5-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-methylpyridine;2-[6-[2,5-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-(trifluoromethyl)pyridine (CID 161425673) is 2-[2,5-bis(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine;2-[6-[2,5-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-methylpyridine;2-[6-[2,5-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[2,5-bis(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine;2-[6-[2,5-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-methylpyridine;2-[6-[2,5-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[2,5-bis(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine;2-[6-[2,5-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-methylpyridine;2-[6-[2,5-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-(trifluoromethyl)pyridine is Cc1ccccc1-c1cc(-c2cccc(-c3ccccn3)n2)c(-c2ccccc2C)cc1-c1cccc(-c2ccccn2)n1.Cc1cccnc1-c1cccc(-c2cc(-c3ccccc3)c(-c3cccc(-c4ccccn4)n3)cc2-c2ccccc2)n1.FC(F)(F)c1cccnc1-c1cccc(-c2cc(-c3ccccc3)c(-c3cccc(-c4ccccn4)n3)cc2-c2ccccc2)n1.
What is the InChIKey of 2-[2,5-bis(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine;2-[6-[2,5-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-methylpyridine;2-[6-[2,5-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-(trifluoromethyl)pyridine?
The InChIKey is VXIBFPIXBCSZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30N4.C39H25F3N4.C39H28N4/c1-27-13-3-5-15-29(27)31-25-34(36-20-12-22-40(44-36)38-18-8-10-24-42-38)32(30-16-6-4-14-28(30)2)26-33(31)35-19-11-21-39(43-35)37-17-7-9-23-41-37;40-39(41,42)32-16-11-23-44-38(32)37-21-10-19-34(46-37)31-25-28(26-12-3-1-4-13-26)30(24-29(31)27-14-5-2-6-15-27)33-18-9-20-36(45-33)35-17-7-8-22-43-35;1-27-13-12-24-41-39(27)38-22-11-20-35(43-38)33-26-30(28-14-4-2-5-15-28)32(25-31(33)29-16-6-3-7-17-29)34-19-10-21-37(42-34)36-18-8-9-23-40-36/h3-26H,1-2H3;1-25H;2-26H,1H3.
What are the key properties of 2-[2,5-bis(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine;2-[6-[2,5-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-methylpyridine;2-[6-[2,5-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-(trifluoromethyl)pyridine?
2-[2,5-bis(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine;2-[6-[2,5-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-methylpyridine;2-[6-[2,5-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-(trifluoromethyl)pyridine has a molecular weight of 1726.04 g/mol, XLogP of 29.75, 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-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine;2-[6-[2,5-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-methylpyridine;2-[6-[2,5-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 161425673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).