N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)-4-phenylanilino)phenyl]-N-(4-phenylphenyl)-3-(trifluoromethyl)aniline

C51H39F3N2 — CID 146809896

IUPACN-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)-4-phenylanilino)phenyl]-N-(4-phenylphenyl)-3-(trifluoromethyl)aniline
SMILESCc1cccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc(C)c4)cc3C(F)(F)F)cc2)c1
InChIInChI=1S/C51H39F3N2/c1-36-11-9-17-46(33-36)55(43-25-19-40(20-26-43)38-13-5-3-6-14-38)44-29-23-42(24-30-44)49-32-31-48(35-50(49)51(52,53)54)56(47-18-10-12-37(2)34-47)45-27-21-41(22-28-45)39-15-7-4-8-16-39/h3-35H,1-2H3
InChIKeyRZVSNUGSZLNHIC-UHFFFAOYSA-N
MW736.88 g/mol
LogP15.26
Rot. Bonds9

About N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)-4-phenylanilino)phenyl]-N-(4-phenylphenyl)-3-(trifluoromethyl)aniline

N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)-4-phenylanilino)phenyl]-N-(4-phenylphenyl)-3-(trifluoromethyl)aniline (PubChem CID 146809896) has the molecular formula C51H39F3N2 and a molecular weight of 736.88 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)-4-phenylanilino)phenyl]-N-(4-phenylphenyl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)-4-phenylanilino)phenyl]-N-(4-phenylphenyl)-3-(trifluoromethyl)aniline
PubChem CID146809896
Molecular FormulaC51H39F3N2
Molecular Weight736.88 g/mol
Exact Mass736.31
IUPAC NameN-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)-4-phenylanilino)phenyl]-N-(4-phenylphenyl)-3-(trifluoromethyl)aniline
SMILESCc1cccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc(C)c4)cc3C(F)(F)F)cc2)c1
InChIInChI=1S/C51H39F3N2/c1-36-11-9-17-46(33-36)55(43-25-19-40(20-26-43)38-13-5-3-6-14-38)44-29-23-42(24-30-44)49-32-31-48(35-50(49)51(52,53)54)56(47-18-10-12-37(2)34-47)45-27-21-41(22-28-45)39-15-7-4-8-16-39/h3-35H,1-2H3
InChIKeyRZVSNUGSZLNHIC-UHFFFAOYSA-N
XLogP15.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.88
LogP ≤ 515.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)-4-phenylanilino)-2-phenylphenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 20758364
3-methyl-N-[4-[4-[N-(3-methylphenyl)-4-[4-[N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylaniline
CID 100923468
3-methyl-N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58711214
3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline
CID 21349180
methanethiol;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 144536774
methane;3-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 158674972
2-[3-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-6-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N-(3-methylphenyl)-N-(4-phenylphenyl)aniline
CID 167255202
1-N-methyl-1-N-[4-[4-[N-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)anilino]-2-phenylphenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)benzene-1,4-diamine
CID 162023240
4-N-phenyl-4-N-[3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]phenyl]-1-N,1-N-bis[4-(N-[3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]phenyl]anilino)phenyl]benzene-1,4-diamine
CID 58963789
3-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 91343059
9,9-dimethyl-N-(3-methylphenyl)-7-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428426
1-N-[4-(N-(3-ethylphenyl)-3-methylanilino)phenyl]-4-N,4-N-bis(3-methylphenyl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 154529575

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)-4-phenylanilino)phenyl]-N-(4-phenylphenyl)-3-(trifluoromethyl)aniline?
The IUPAC name of N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)-4-phenylanilino)phenyl]-N-(4-phenylphenyl)-3-(trifluoromethyl)aniline (CID 146809896) is N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)-4-phenylanilino)phenyl]-N-(4-phenylphenyl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)-4-phenylanilino)phenyl]-N-(4-phenylphenyl)-3-(trifluoromethyl)aniline?
The canonical SMILES for N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)-4-phenylanilino)phenyl]-N-(4-phenylphenyl)-3-(trifluoromethyl)aniline is Cc1cccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc(C)c4)cc3C(F)(F)F)cc2)c1.
What is the InChIKey of N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)-4-phenylanilino)phenyl]-N-(4-phenylphenyl)-3-(trifluoromethyl)aniline?
The InChIKey is RZVSNUGSZLNHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H39F3N2/c1-36-11-9-17-46(33-36)55(43-25-19-40(20-26-43)38-13-5-3-6-14-38)44-29-23-42(24-30-44)49-32-31-48(35-50(49)51(52,53)54)56(47-18-10-12-37(2)34-47)45-27-21-41(22-28-45)39-15-7-4-8-16-39/h3-35H,1-2H3.
What are the key properties of N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)-4-phenylanilino)phenyl]-N-(4-phenylphenyl)-3-(trifluoromethyl)aniline?
N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)-4-phenylanilino)phenyl]-N-(4-phenylphenyl)-3-(trifluoromethyl)aniline has a molecular weight of 736.88 g/mol, XLogP of 15.26, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)-4-phenylanilino)phenyl]-N-(4-phenylphenyl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 146809896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).