N-[2-methyl-4-[5-[4-(4-phenyl-N-pyridin-3-ylanilino)-3-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine

C52H37F3N4S — CID 122659652

IUPACN-[2-methyl-4-[5-[4-(4-phenyl-N-pyridin-3-ylanilino)-3-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine
SMILESCc1cc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccnc4)c(C(F)(F)F)c3)s2)ccc1N(c1ccc(-c2ccccc2)cc1)c1cccnc1
InChIInChI=1S/C52H37F3N4S/c1-36-32-41(20-26-48(36)58(45-14-8-30-56-34-45)43-22-16-39(17-23-43)37-10-4-2-5-11-37)50-28-29-51(60-50)42-21-27-49(47(33-42)52(53,54)55)59(46-15-9-31-57-35-46)44-24-18-40(19-25-44)38-12-6-3-7-13-38/h2-35H,1H3
InChIKeyFMPDRKAECYHQNZ-UHFFFAOYSA-N
MW806.96 g/mol
LogP15.47
Rot. Bonds10

About N-[2-methyl-4-[5-[4-(4-phenyl-N-pyridin-3-ylanilino)-3-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine

N-[2-methyl-4-[5-[4-(4-phenyl-N-pyridin-3-ylanilino)-3-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine (PubChem CID 122659652) has the molecular formula C52H37F3N4S and a molecular weight of 806.96 g/mol. Its IUPAC name is N-[2-methyl-4-[5-[4-(4-phenyl-N-pyridin-3-ylanilino)-3-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine.

Molecular Properties

Compound NameN-[2-methyl-4-[5-[4-(4-phenyl-N-pyridin-3-ylanilino)-3-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine
PubChem CID122659652
Molecular FormulaC52H37F3N4S
Molecular Weight806.96 g/mol
Exact Mass806.27
IUPAC NameN-[2-methyl-4-[5-[4-(4-phenyl-N-pyridin-3-ylanilino)-3-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine
SMILESCc1cc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccnc4)c(C(F)(F)F)c3)s2)ccc1N(c1ccc(-c2ccccc2)cc1)c1cccnc1
InChIInChI=1S/C52H37F3N4S/c1-36-32-41(20-26-48(36)58(45-14-8-30-56-34-45)43-22-16-39(17-23-43)37-10-4-2-5-11-37)50-28-29-51(60-50)42-21-27-49(47(33-42)52(53,54)55)59(46-15-9-31-57-35-46)44-24-18-40(19-25-44)38-12-6-3-7-13-38/h2-35H,1H3
InChIKeyFMPDRKAECYHQNZ-UHFFFAOYSA-N
XLogP15.47
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.96
LogP ≤ 515.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[2-methyl-4-[5-[4-(4-phenyl-N-pyridin-3-ylanilino)-3-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-[5-[4-(4-phenyl-N-pyridin-3-ylanilino)-3-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine?
The IUPAC name of N-[2-methyl-4-[5-[4-(4-phenyl-N-pyridin-3-ylanilino)-3-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine (CID 122659652) is N-[2-methyl-4-[5-[4-(4-phenyl-N-pyridin-3-ylanilino)-3-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine.
What is the SMILES notation for N-[2-methyl-4-[5-[4-(4-phenyl-N-pyridin-3-ylanilino)-3-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine?
The canonical SMILES for N-[2-methyl-4-[5-[4-(4-phenyl-N-pyridin-3-ylanilino)-3-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine is Cc1cc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccnc4)c(C(F)(F)F)c3)s2)ccc1N(c1ccc(-c2ccccc2)cc1)c1cccnc1.
What is the InChIKey of N-[2-methyl-4-[5-[4-(4-phenyl-N-pyridin-3-ylanilino)-3-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine?
The InChIKey is FMPDRKAECYHQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37F3N4S/c1-36-32-41(20-26-48(36)58(45-14-8-30-56-34-45)43-22-16-39(17-23-43)37-10-4-2-5-11-37)50-28-29-51(60-50)42-21-27-49(47(33-42)52(53,54)55)59(46-15-9-31-57-35-46)44-24-18-40(19-25-44)38-12-6-3-7-13-38/h2-35H,1H3.
What are the key properties of N-[2-methyl-4-[5-[4-(4-phenyl-N-pyridin-3-ylanilino)-3-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine?
N-[2-methyl-4-[5-[4-(4-phenyl-N-pyridin-3-ylanilino)-3-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine has a molecular weight of 806.96 g/mol, XLogP of 15.47, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-[5-[4-(4-phenyl-N-pyridin-3-ylanilino)-3-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine is sourced from PubChem (CID 122659652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).