4-methyl-N-[4-[4-(4-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]anilino)phenyl]phenyl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]aniline

C42H34F6N2O2 — CID 18938692

IUPAC4-methyl-N-[4-[4-(4-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]anilino)phenyl]phenyl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]aniline
SMILESCc1ccc(N(c2ccc(OCC(F)(F)F)cc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(OCC(F)(F)F)cc4)cc3)cc2)cc1
InChIInChI=1S/C42H34F6N2O2/c1-29-3-11-33(12-4-29)49(37-19-23-39(24-20-37)51-27-41(43,44)45)35-15-7-31(8-16-35)32-9-17-36(18-10-32)50(34-13-5-30(2)6-14-34)38-21-25-40(26-22-38)52-28-42(46,47)48/h3-26H,27-28H2,1-2H3
InChIKeyZHIJNLMDLLNXPS-UHFFFAOYSA-N
MW712.73 g/mol
LogP12.79
Rot. Bonds11

About 4-methyl-N-[4-[4-(4-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]anilino)phenyl]phenyl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]aniline

4-methyl-N-[4-[4-(4-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]anilino)phenyl]phenyl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]aniline (PubChem CID 18938692) has the molecular formula C42H34F6N2O2 and a molecular weight of 712.73 g/mol. Its IUPAC name is 4-methyl-N-[4-[4-(4-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]anilino)phenyl]phenyl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[4-[4-(4-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]anilino)phenyl]phenyl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]aniline
PubChem CID18938692
Molecular FormulaC42H34F6N2O2
Molecular Weight712.73 g/mol
Exact Mass712.25
IUPAC Name4-methyl-N-[4-[4-(4-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]anilino)phenyl]phenyl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]aniline
SMILESCc1ccc(N(c2ccc(OCC(F)(F)F)cc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(OCC(F)(F)F)cc4)cc3)cc2)cc1
InChIInChI=1S/C42H34F6N2O2/c1-29-3-11-33(12-4-29)49(37-19-23-39(24-20-37)51-27-41(43,44)45)35-15-7-31(8-16-35)32-9-17-36(18-10-32)50(34-13-5-30(2)6-14-34)38-21-25-40(26-22-38)52-28-42(46,47)48/h3-26H,27-28H2,1-2H3
InChIKeyZHIJNLMDLLNXPS-UHFFFAOYSA-N
XLogP12.79
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.73
LogP ≤ 512.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[4-(4-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]anilino)phenyl]phenyl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]aniline?
The IUPAC name of 4-methyl-N-[4-[4-(4-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]anilino)phenyl]phenyl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]aniline (CID 18938692) is 4-methyl-N-[4-[4-(4-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]anilino)phenyl]phenyl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]aniline.
What is the SMILES notation for 4-methyl-N-[4-[4-(4-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]anilino)phenyl]phenyl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]aniline?
The canonical SMILES for 4-methyl-N-[4-[4-(4-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]anilino)phenyl]phenyl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]aniline is Cc1ccc(N(c2ccc(OCC(F)(F)F)cc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(OCC(F)(F)F)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-[4-(4-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]anilino)phenyl]phenyl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]aniline?
The InChIKey is ZHIJNLMDLLNXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34F6N2O2/c1-29-3-11-33(12-4-29)49(37-19-23-39(24-20-37)51-27-41(43,44)45)35-15-7-31(8-16-35)32-9-17-36(18-10-32)50(34-13-5-30(2)6-14-34)38-21-25-40(26-22-38)52-28-42(46,47)48/h3-26H,27-28H2,1-2H3.
What are the key properties of 4-methyl-N-[4-[4-(4-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]anilino)phenyl]phenyl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]aniline?
4-methyl-N-[4-[4-(4-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]anilino)phenyl]phenyl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]aniline has a molecular weight of 712.73 g/mol, XLogP of 12.79, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[4-(4-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]anilino)phenyl]phenyl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]aniline is sourced from PubChem (CID 18938692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).