N-[4-[1-methyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-(trifluoromethyl)phenyl]-N-(4-phenylphenyl)pyridin-3-amine

C53H37F6N5 — CID 122660802

IUPACN-[4-[1-methyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-(trifluoromethyl)phenyl]-N-(4-phenylphenyl)pyridin-3-amine
SMILESCn1c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccnc3)cc2C(F)(F)F)ccc1-c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccnc2)cc1C(F)(F)F
InChIInChI=1S/C53H37F6N5/c1-62-50(46-26-24-42(32-48(46)52(54,55)56)63(44-14-8-30-60-34-44)40-20-16-38(17-21-40)36-10-4-2-5-11-36)28-29-51(62)47-27-25-43(33-49(47)53(57,58)59)64(45-15-9-31-61-35-45)41-22-18-39(19-23-41)37-12-6-3-7-13-37/h2-35H,1H3
InChIKeyXKALMYPTWWRHAY-UHFFFAOYSA-N
MW857.90 g/mol
LogP15.46
Rot. Bonds10

About N-[4-[1-methyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-(trifluoromethyl)phenyl]-N-(4-phenylphenyl)pyridin-3-amine

N-[4-[1-methyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-(trifluoromethyl)phenyl]-N-(4-phenylphenyl)pyridin-3-amine (PubChem CID 122660802) has the molecular formula C53H37F6N5 and a molecular weight of 857.90 g/mol. Its IUPAC name is N-[4-[1-methyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-(trifluoromethyl)phenyl]-N-(4-phenylphenyl)pyridin-3-amine.

Molecular Properties

Compound NameN-[4-[1-methyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-(trifluoromethyl)phenyl]-N-(4-phenylphenyl)pyridin-3-amine
PubChem CID122660802
Molecular FormulaC53H37F6N5
Molecular Weight857.90 g/mol
Exact Mass857.30
IUPAC NameN-[4-[1-methyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-(trifluoromethyl)phenyl]-N-(4-phenylphenyl)pyridin-3-amine
SMILESCn1c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccnc3)cc2C(F)(F)F)ccc1-c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccnc2)cc1C(F)(F)F
InChIInChI=1S/C53H37F6N5/c1-62-50(46-26-24-42(32-48(46)52(54,55)56)63(44-14-8-30-60-34-44)40-20-16-38(17-21-40)36-10-4-2-5-11-36)28-29-51(62)47-27-25-43(33-49(47)53(57,58)59)64(45-15-9-31-61-35-45)41-22-18-39(19-23-41)37-12-6-3-7-13-37/h2-35H,1H3
InChIKeyXKALMYPTWWRHAY-UHFFFAOYSA-N
XLogP15.46
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500857.90
LogP ≤ 515.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[4-[1-methyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-(trifluoromethyl)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-[4-[1-methyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-(trifluoromethyl)phenyl]-N-(4-phenylphenyl)pyridin-3-amine?
The IUPAC name of N-[4-[1-methyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-(trifluoromethyl)phenyl]-N-(4-phenylphenyl)pyridin-3-amine (CID 122660802) is N-[4-[1-methyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-(trifluoromethyl)phenyl]-N-(4-phenylphenyl)pyridin-3-amine.
What is the SMILES notation for N-[4-[1-methyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-(trifluoromethyl)phenyl]-N-(4-phenylphenyl)pyridin-3-amine?
The canonical SMILES for N-[4-[1-methyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-(trifluoromethyl)phenyl]-N-(4-phenylphenyl)pyridin-3-amine is Cn1c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccnc3)cc2C(F)(F)F)ccc1-c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccnc2)cc1C(F)(F)F.
What is the InChIKey of N-[4-[1-methyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-(trifluoromethyl)phenyl]-N-(4-phenylphenyl)pyridin-3-amine?
The InChIKey is XKALMYPTWWRHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37F6N5/c1-62-50(46-26-24-42(32-48(46)52(54,55)56)63(44-14-8-30-60-34-44)40-20-16-38(17-21-40)36-10-4-2-5-11-36)28-29-51(62)47-27-25-43(33-49(47)53(57,58)59)64(45-15-9-31-61-35-45)41-22-18-39(19-23-41)37-12-6-3-7-13-37/h2-35H,1H3.
What are the key properties of N-[4-[1-methyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-(trifluoromethyl)phenyl]-N-(4-phenylphenyl)pyridin-3-amine?
N-[4-[1-methyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-(trifluoromethyl)phenyl]-N-(4-phenylphenyl)pyridin-3-amine has a molecular weight of 857.90 g/mol, XLogP of 15.46, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-methyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-(trifluoromethyl)phenyl]-N-(4-phenylphenyl)pyridin-3-amine is sourced from PubChem (CID 122660802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).