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

C78H48F18N4 — CID 58963789

IUPAC4-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
SMILESFC(F)(F)c1ccccc1-c1ccc(N(c2ccccc2)c2ccc(N(c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5C(F)(F)F)c(C(F)(F)F)c4)cc3)c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5C(F)(F)F)c(C(F)(F)F)c4)cc3)cc2)cc1C(F)(F)F
InChIInChI=1S/C78H48F18N4/c79-73(80,81)67-25-13-10-22-61(67)64-43-40-58(46-70(64)76(88,89)90)98(49-16-4-1-5-17-49)55-34-28-52(29-35-55)97(53-30-36-56(37-31-53)99(50-18-6-2-7-19-50)59-41-44-65(71(47-59)77(91,92)93)62-23-11-14-26-68(62)74(82,83)84)54-32-38-57(39-33-54)100(51-20-8-3-9-21-51)60-42-45-66(72(48-60)78(94,95)96)63-24-12-15-27-69(63)75(85,86)87/h1-48H
InChIKeyJILCQQZDVLEGQJ-UHFFFAOYSA-N
MW1383.23 g/mol
LogP26.68
Rot. Bonds15

About 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

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 (PubChem CID 58963789) has the molecular formula C78H48F18N4 and a molecular weight of 1383.23 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID58963789
Molecular FormulaC78H48F18N4
Molecular Weight1383.23 g/mol
Exact Mass1382.36
IUPAC Name4-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
SMILESFC(F)(F)c1ccccc1-c1ccc(N(c2ccccc2)c2ccc(N(c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5C(F)(F)F)c(C(F)(F)F)c4)cc3)c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5C(F)(F)F)c(C(F)(F)F)c4)cc3)cc2)cc1C(F)(F)F
InChIInChI=1S/C78H48F18N4/c79-73(80,81)67-25-13-10-22-61(67)64-43-40-58(46-70(64)76(88,89)90)98(49-16-4-1-5-17-49)55-34-28-52(29-35-55)97(53-30-36-56(37-31-53)99(50-18-6-2-7-19-50)59-41-44-65(71(47-59)77(91,92)93)62-23-11-14-26-68(62)74(82,83)84)54-32-38-57(39-33-54)100(51-20-8-3-9-21-51)60-42-45-66(72(48-60)78(94,95)96)63-24-12-15-27-69(63)75(85,86)87/h1-48H
InChIKeyJILCQQZDVLEGQJ-UHFFFAOYSA-N
XLogP26.68
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001383.23
LogP ≤ 526.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)-4-phenylanilino)phenyl]-N-(4-phenylphenyl)-3-(trifluoromethyl)aniline
CID 146809896
2,4-bis(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene
CID 134617711
3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]benzaldehyde
CID 134617334
1-N,6-N-bis[2,4-difluoro-6-[2-(trifluoromethyl)phenyl]phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine
CID 58099283
4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]-N,N-diphenylaniline
CID 129147379
1-N,1-N,3-N-triphenyl-3-N-[3-(N-[3-(N-[3-(N-phenylanilino)phenyl]anilino)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 58623553
1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 4163727
4-[difluoro-[4-(N-phenylanilino)phenyl]methyl]-N,N-diphenylaniline
CID 126517232
acetylene;N,N-diphenylaniline
CID 162160270
N,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline
CID 18780381
2-[3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]phenyl]acetonitrile
CID 118996851
3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]benzoyl chloride
CID 134617336

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is FC(F)(F)c1ccccc1-c1ccc(N(c2ccccc2)c2ccc(N(c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5C(F)(F)F)c(C(F)(F)F)c4)cc3)c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5C(F)(F)F)c(C(F)(F)F)c4)cc3)cc2)cc1C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is JILCQQZDVLEGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H48F18N4/c79-73(80,81)67-25-13-10-22-61(67)64-43-40-58(46-70(64)76(88,89)90)98(49-16-4-1-5-17-49)55-34-28-52(29-35-55)97(53-30-36-56(37-31-53)99(50-18-6-2-7-19-50)59-41-44-65(71(47-59)77(91,92)93)62-23-11-14-26-68(62)74(82,83)84)54-32-38-57(39-33-54)100(51-20-8-3-9-21-51)60-42-45-66(72(48-60)78(94,95)96)63-24-12-15-27-69(63)75(85,86)87/h1-48H.
What are the key properties of 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?
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 has a molecular weight of 1383.23 g/mol, XLogP of 26.68, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58963789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).