N-(3,4-dimethylphenyl)-3,4-dimethyl-N-[4-[4-[4-[4-(4-methyl-N-[3-(trifluoromethyl)phenyl]anilino)phenoxy]-N-[3-(trifluoromethyl)phenyl]anilino]phenoxy]phenyl]aniline

C61H49F6N3O2 — CID 23594434

IUPACN-(3,4-dimethylphenyl)-3,4-dimethyl-N-[4-[4-[4-[4-(4-methyl-N-[3-(trifluoromethyl)phenyl]anilino)phenoxy]-N-[3-(trifluoromethyl)phenyl]anilino]phenoxy]phenyl]aniline
SMILESCc1ccc(N(c2ccc(Oc3ccc(N(c4ccc(Oc5ccc(N(c6ccc(C)c(C)c6)c6ccc(C)c(C)c6)cc5)cc4)c4cccc(C(F)(F)F)c4)cc3)cc2)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C61H49F6N3O2/c1-40-12-16-47(17-13-40)68(52-10-6-8-45(38-52)60(62,63)64)48-20-28-56(29-21-48)71-57-30-22-49(23-31-57)69(53-11-7-9-46(39-53)61(65,66)67)50-24-32-58(33-25-50)72-59-34-26-51(27-35-59)70(54-18-14-41(2)43(4)36-54)55-19-15-42(3)44(5)37-55/h6-39H,1-5H3
InChIKeyHNGBCQHPPYHCDJ-UHFFFAOYSA-N
MW970.07 g/mol
LogP19.26
Rot. Bonds13

About N-(3,4-dimethylphenyl)-3,4-dimethyl-N-[4-[4-[4-[4-(4-methyl-N-[3-(trifluoromethyl)phenyl]anilino)phenoxy]-N-[3-(trifluoromethyl)phenyl]anilino]phenoxy]phenyl]aniline

N-(3,4-dimethylphenyl)-3,4-dimethyl-N-[4-[4-[4-[4-(4-methyl-N-[3-(trifluoromethyl)phenyl]anilino)phenoxy]-N-[3-(trifluoromethyl)phenyl]anilino]phenoxy]phenyl]aniline (PubChem CID 23594434) has the molecular formula C61H49F6N3O2 and a molecular weight of 970.07 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3,4-dimethyl-N-[4-[4-[4-[4-(4-methyl-N-[3-(trifluoromethyl)phenyl]anilino)phenoxy]-N-[3-(trifluoromethyl)phenyl]anilino]phenoxy]phenyl]aniline.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3,4-dimethyl-N-[4-[4-[4-[4-(4-methyl-N-[3-(trifluoromethyl)phenyl]anilino)phenoxy]-N-[3-(trifluoromethyl)phenyl]anilino]phenoxy]phenyl]aniline
PubChem CID23594434
Molecular FormulaC61H49F6N3O2
Molecular Weight970.07 g/mol
Exact Mass969.37
IUPAC NameN-(3,4-dimethylphenyl)-3,4-dimethyl-N-[4-[4-[4-[4-(4-methyl-N-[3-(trifluoromethyl)phenyl]anilino)phenoxy]-N-[3-(trifluoromethyl)phenyl]anilino]phenoxy]phenyl]aniline
SMILESCc1ccc(N(c2ccc(Oc3ccc(N(c4ccc(Oc5ccc(N(c6ccc(C)c(C)c6)c6ccc(C)c(C)c6)cc5)cc4)c4cccc(C(F)(F)F)c4)cc3)cc2)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C61H49F6N3O2/c1-40-12-16-47(17-13-40)68(52-10-6-8-45(38-52)60(62,63)64)48-20-28-56(29-21-48)71-57-30-22-49(23-31-57)69(53-11-7-9-46(39-53)61(65,66)67)50-24-32-58(33-25-50)72-59-34-26-51(27-35-59)70(54-18-14-41(2)43(4)36-54)55-19-15-42(3)44(5)37-55/h6-39H,1-5H3
InChIKeyHNGBCQHPPYHCDJ-UHFFFAOYSA-N
XLogP19.26
TPSA28.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500970.07
LogP ≤ 519.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(3,4-dimethylphenyl)-3,4-dimethyl-N-[4-[4-[4-[4-(4-methyl-N-[3-(trifluoromethyl)phenyl]anilino)phenoxy]-N-[3-(trifluoromethyl)phenyl]anilino]phenoxy]phenyl]aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3,4-dimethyl-N-[4-[4-[4-[4-(4-methyl-N-[3-(trifluoromethyl)phenyl]anilino)phenoxy]-N-[3-(trifluoromethyl)phenyl]anilino]phenoxy]phenyl]aniline?
The IUPAC name of N-(3,4-dimethylphenyl)-3,4-dimethyl-N-[4-[4-[4-[4-(4-methyl-N-[3-(trifluoromethyl)phenyl]anilino)phenoxy]-N-[3-(trifluoromethyl)phenyl]anilino]phenoxy]phenyl]aniline (CID 23594434) is N-(3,4-dimethylphenyl)-3,4-dimethyl-N-[4-[4-[4-[4-(4-methyl-N-[3-(trifluoromethyl)phenyl]anilino)phenoxy]-N-[3-(trifluoromethyl)phenyl]anilino]phenoxy]phenyl]aniline.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3,4-dimethyl-N-[4-[4-[4-[4-(4-methyl-N-[3-(trifluoromethyl)phenyl]anilino)phenoxy]-N-[3-(trifluoromethyl)phenyl]anilino]phenoxy]phenyl]aniline?
The canonical SMILES for N-(3,4-dimethylphenyl)-3,4-dimethyl-N-[4-[4-[4-[4-(4-methyl-N-[3-(trifluoromethyl)phenyl]anilino)phenoxy]-N-[3-(trifluoromethyl)phenyl]anilino]phenoxy]phenyl]aniline is Cc1ccc(N(c2ccc(Oc3ccc(N(c4ccc(Oc5ccc(N(c6ccc(C)c(C)c6)c6ccc(C)c(C)c6)cc5)cc4)c4cccc(C(F)(F)F)c4)cc3)cc2)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-(3,4-dimethylphenyl)-3,4-dimethyl-N-[4-[4-[4-[4-(4-methyl-N-[3-(trifluoromethyl)phenyl]anilino)phenoxy]-N-[3-(trifluoromethyl)phenyl]anilino]phenoxy]phenyl]aniline?
The InChIKey is HNGBCQHPPYHCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H49F6N3O2/c1-40-12-16-47(17-13-40)68(52-10-6-8-45(38-52)60(62,63)64)48-20-28-56(29-21-48)71-57-30-22-49(23-31-57)69(53-11-7-9-46(39-53)61(65,66)67)50-24-32-58(33-25-50)72-59-34-26-51(27-35-59)70(54-18-14-41(2)43(4)36-54)55-19-15-42(3)44(5)37-55/h6-39H,1-5H3.
What are the key properties of N-(3,4-dimethylphenyl)-3,4-dimethyl-N-[4-[4-[4-[4-(4-methyl-N-[3-(trifluoromethyl)phenyl]anilino)phenoxy]-N-[3-(trifluoromethyl)phenyl]anilino]phenoxy]phenyl]aniline?
N-(3,4-dimethylphenyl)-3,4-dimethyl-N-[4-[4-[4-[4-(4-methyl-N-[3-(trifluoromethyl)phenyl]anilino)phenoxy]-N-[3-(trifluoromethyl)phenyl]anilino]phenoxy]phenyl]aniline has a molecular weight of 970.07 g/mol, XLogP of 19.26, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3,4-dimethyl-N-[4-[4-[4-[4-(4-methyl-N-[3-(trifluoromethyl)phenyl]anilino)phenoxy]-N-[3-(trifluoromethyl)phenyl]anilino]phenoxy]phenyl]aniline is sourced from PubChem (CID 23594434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).