4-[2-(4-tert-butylphenyl)-3-(4-chlorophenyl)-4-phenyl-6-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]phenyl]pyridine

C45H34ClF3N2 — CID 86341907

IUPAC4-[2-(4-tert-butylphenyl)-3-(4-chlorophenyl)-4-phenyl-6-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]phenyl]pyridine
SMILESCC(C)(C)c1ccc(-c2c(-c3ccncc3)c(-c3ccncc3)c(-c3ccc(C(F)(F)F)cc3)c(-c3ccccc3)c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C45H34ClF3N2/c1-44(2,3)35-15-9-30(10-16-35)40-41(32-13-19-37(46)20-14-32)38(29-7-5-4-6-8-29)39(31-11-17-36(18-12-31)45(47,48)49)42(33-21-25-50-26-22-33)43(40)34-23-27-51-28-24-34/h4-28H,1-3H3
InChIKeyKQQNFNIVQFKQMG-UHFFFAOYSA-N
MW695.23 g/mol
LogP13.45
Rot. Bonds6

About 4-[2-(4-tert-butylphenyl)-3-(4-chlorophenyl)-4-phenyl-6-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]phenyl]pyridine

4-[2-(4-tert-butylphenyl)-3-(4-chlorophenyl)-4-phenyl-6-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]phenyl]pyridine (PubChem CID 86341907) has the molecular formula C45H34ClF3N2 and a molecular weight of 695.23 g/mol. Its IUPAC name is 4-[2-(4-tert-butylphenyl)-3-(4-chlorophenyl)-4-phenyl-6-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]phenyl]pyridine.

Molecular Properties

Compound Name4-[2-(4-tert-butylphenyl)-3-(4-chlorophenyl)-4-phenyl-6-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]phenyl]pyridine
PubChem CID86341907
Molecular FormulaC45H34ClF3N2
Molecular Weight695.23 g/mol
Exact Mass694.24
IUPAC Name4-[2-(4-tert-butylphenyl)-3-(4-chlorophenyl)-4-phenyl-6-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]phenyl]pyridine
SMILESCC(C)(C)c1ccc(-c2c(-c3ccncc3)c(-c3ccncc3)c(-c3ccc(C(F)(F)F)cc3)c(-c3ccccc3)c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C45H34ClF3N2/c1-44(2,3)35-15-9-30(10-16-35)40-41(32-13-19-37(46)20-14-32)38(29-7-5-4-6-8-29)39(31-11-17-36(18-12-31)45(47,48)49)42(33-21-25-50-26-22-33)43(40)34-23-27-51-28-24-34/h4-28H,1-3H3
InChIKeyKQQNFNIVQFKQMG-UHFFFAOYSA-N
XLogP13.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.23
LogP ≤ 513.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[2-(4-tert-butylphenyl)-3-(4-chlorophenyl)-4-phenyl-6-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]phenyl]pyridine 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-[4-Chlorobenzyl]-4-[4-(pyridin-4-yl)phenylmethyl]-piperazine
CID 44586290
3-[1-[3-chloro-5-[(E)-2-(4-pyridin-4-ylphenyl)ethenyl]phenyl]-2-methylprop-1-enyl]pyridine
CID 122451518
Pyridine, 4,4'-((2,2'''',3,3'''',5,5'''',6,6''''-octafluoro(1,1':3',1'':3'',1''':3''',1''''-quinquephenyl)-4,4''''-diyl)bis(methylene))bis-
CID 12158472
2-(4,4'-Di-tert-butyl-2'-(5-chloro-3-fluoropyridin-2-yl)-[1,1'-biphenyl]-2-yl)-3-fluoro-4-methylpyridine
CID 155908890
6,6'-(4'',6'-Di-tert-butyl-[1,1':3',1'':3'',1'''-quaterphenyl]-4',6''-diyl)bis(3-fluoropyridine)
CID 155908893
2-(4'-(Tert-butyl)-4-chloro-2'-(5-fluoropyridin-2-yl)-[1,1'-biphenyl]-2-yl)-3-methylpyridine
CID 155908905
2-(4,4'-Di-tert-butyl-2'-(5-(trifluoromethyl)pyridin-2-yl)-[1,1'-biphenyl]-2-yl)-3-fluoro-4-methylpyridine
CID 155908906
6,6'-(4,4'-Di-tert-butyl-[1,1'-biphenyl]-2,2'-diyl)bis(3-(trifluoromethyl)pyridine)
CID 155908913
2-(4-(Tert-butyl)-2-(5-fluoropyridin-2-yl)-[1,1':4',1''-terphenyl]-2'-yl)-3-methylpyridine
CID 155908918
2,2'-(4,4'-Di-tert-butyl-[1,1'-biphenyl]-2,2'-diyl)bis(5-chloro-3-fluoropyridine)
CID 155908919
2-(4,4'-Di-tert-butyl-6'-(5-fluoropyridin-2-yl)-[1,1':3',1''-terphenyl]-2-yl)-3-fluoro-4-methylpyridine
CID 155908927
2-(4,4'-Di-tert-butyl-2'-(5-fluoropyridin-2-yl)-[1,1'-biphenyl]-2-yl)-3-fluoro-4-methylpyridine
CID 155908954

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-tert-butylphenyl)-3-(4-chlorophenyl)-4-phenyl-6-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]phenyl]pyridine?
The IUPAC name of 4-[2-(4-tert-butylphenyl)-3-(4-chlorophenyl)-4-phenyl-6-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]phenyl]pyridine (CID 86341907) is 4-[2-(4-tert-butylphenyl)-3-(4-chlorophenyl)-4-phenyl-6-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]phenyl]pyridine.
What is the SMILES notation for 4-[2-(4-tert-butylphenyl)-3-(4-chlorophenyl)-4-phenyl-6-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]phenyl]pyridine?
The canonical SMILES for 4-[2-(4-tert-butylphenyl)-3-(4-chlorophenyl)-4-phenyl-6-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]phenyl]pyridine is CC(C)(C)c1ccc(-c2c(-c3ccncc3)c(-c3ccncc3)c(-c3ccc(C(F)(F)F)cc3)c(-c3ccccc3)c2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[2-(4-tert-butylphenyl)-3-(4-chlorophenyl)-4-phenyl-6-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]phenyl]pyridine?
The InChIKey is KQQNFNIVQFKQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H34ClF3N2/c1-44(2,3)35-15-9-30(10-16-35)40-41(32-13-19-37(46)20-14-32)38(29-7-5-4-6-8-29)39(31-11-17-36(18-12-31)45(47,48)49)42(33-21-25-50-26-22-33)43(40)34-23-27-51-28-24-34/h4-28H,1-3H3.
What are the key properties of 4-[2-(4-tert-butylphenyl)-3-(4-chlorophenyl)-4-phenyl-6-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]phenyl]pyridine?
4-[2-(4-tert-butylphenyl)-3-(4-chlorophenyl)-4-phenyl-6-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]phenyl]pyridine has a molecular weight of 695.23 g/mol, XLogP of 13.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-tert-butylphenyl)-3-(4-chlorophenyl)-4-phenyl-6-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]phenyl]pyridine is sourced from PubChem (CID 86341907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).