N-[4-[2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]-3-methyl-N-(4-methylphenyl)aniline

C30H23F6N — CID 138690611

IUPACN-[4-[2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]-3-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C=Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)c2cccc(C)c2)cc1
InChIInChI=1S/C30H23F6N/c1-20-6-12-26(13-7-20)37(28-5-3-4-21(2)16-28)27-14-10-22(11-15-27)8-9-23-17-24(29(31,32)33)19-25(18-23)30(34,35)36/h3-19H,1-2H3
InChIKeyNSZKIQMPOUUZEN-UHFFFAOYSA-N
MW511.51 g/mol
LogP9.98
Rot. Bonds5

About N-[4-[2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]-3-methyl-N-(4-methylphenyl)aniline

N-[4-[2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]-3-methyl-N-(4-methylphenyl)aniline (PubChem CID 138690611) has the molecular formula C30H23F6N and a molecular weight of 511.51 g/mol. Its IUPAC name is N-[4-[2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]-3-methyl-N-(4-methylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]-3-methyl-N-(4-methylphenyl)aniline
PubChem CID138690611
Molecular FormulaC30H23F6N
Molecular Weight511.51 g/mol
Exact Mass511.17
IUPAC NameN-[4-[2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]-3-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C=Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)c2cccc(C)c2)cc1
InChIInChI=1S/C30H23F6N/c1-20-6-12-26(13-7-20)37(28-5-3-4-21(2)16-28)27-14-10-22(11-15-27)8-9-23-17-24(29(31,32)33)19-25(18-23)30(34,35)36/h3-19H,1-2H3
InChIKeyNSZKIQMPOUUZEN-UHFFFAOYSA-N
XLogP9.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.51
LogP ≤ 59.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-[4-[2-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(3-methylphenyl)aniline
CID 59938925
4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-N,N-bis[4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]aniline
CID 59858823
3-methyl-N-(4-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]aniline
CID 89068068
N-[4-[4-[(E)-2-[4-[4-(4-tert-butyl-N-(3-methylphenyl)anilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-N-(4-tert-butylphenyl)-3-methylaniline
CID 89067945
3-methyl-N-(3-methylphenyl)-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]aniline
CID 90810762
3-methyl-N-(3-methylphenyl)-N-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]aniline
CID 89068114
3-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 91343059
3-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]-N-[3-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 118136756
N-[4-[2-[4-[2-[4-(4-ethyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-ethylphenyl)-3-methylaniline
CID 73195825
N-(4-ethenylphenyl)-3-methyl-N-(4-methylphenyl)aniline
CID 69459469
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 14366502
1-N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,4-N,4-N-tris(3-methylphenyl)benzene-1,4-diamine
CID 20734413

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]-3-methyl-N-(4-methylphenyl)aniline?
The IUPAC name of N-[4-[2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]-3-methyl-N-(4-methylphenyl)aniline (CID 138690611) is N-[4-[2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]-3-methyl-N-(4-methylphenyl)aniline.
What is the SMILES notation for N-[4-[2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]-3-methyl-N-(4-methylphenyl)aniline?
The canonical SMILES for N-[4-[2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]-3-methyl-N-(4-methylphenyl)aniline is Cc1ccc(N(c2ccc(C=Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)c2cccc(C)c2)cc1.
What is the InChIKey of N-[4-[2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]-3-methyl-N-(4-methylphenyl)aniline?
The InChIKey is NSZKIQMPOUUZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F6N/c1-20-6-12-26(13-7-20)37(28-5-3-4-21(2)16-28)27-14-10-22(11-15-27)8-9-23-17-24(29(31,32)33)19-25(18-23)30(34,35)36/h3-19H,1-2H3.
What are the key properties of N-[4-[2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]-3-methyl-N-(4-methylphenyl)aniline?
N-[4-[2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]-3-methyl-N-(4-methylphenyl)aniline has a molecular weight of 511.51 g/mol, XLogP of 9.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]-3-methyl-N-(4-methylphenyl)aniline is sourced from PubChem (CID 138690611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).