4-(4-bromophenyl)-N,N-diphenylaniline;4-ethenyl-N-[4-[2-[4-(4-ethenylanilino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]aniline;4-ethenyl-N-[4-[2-[4-(4-ethenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline

C134H106BrF6N7 — CID 157113904

IUPAC4-(4-bromophenyl)-N,N-diphenylaniline;4-ethenyl-N-[4-[2-[4-(4-ethenylanilino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]aniline;4-ethenyl-N-[4-[2-[4-(4-ethenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline
SMILESBrc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.C=Cc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)c2ccc(C(C)(c3ccc(N(c4ccc(C=C)cc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)cc3)C(F)(F)F)cc2)cc1.C=Cc1ccc(Nc2ccc(C(C)(c3ccc(Nc4ccc(C=C)cc4)cc3)C(F)(F)F)cc2)cc1
InChIInChI=1S/C79H61F3N4.C31H27F3N2.C24H18BrN/c1-4-58-26-42-70(43-27-58)85(74-50-34-62(35-51-74)60-30-46-72(47-31-60)83(66-18-10-6-11-19-66)67-20-12-7-13-21-67)76-54-38-64(39-55-76)78(3,79(80,81)82)65-40-56-77(57-41-65)86(71-44-28-59(5-2)29-45-71)75-52-36-63(37-53-75)61-32-48-73(49-33-61)84(68-22-14-8-15-23-68)69-24-16-9-17-25-69;1-4-22-6-14-26(15-7-22)35-28-18-10-24(11-19-28)30(3,31(32,33)34)25-12-20-29(21-13-25)36-27-16-8-23(5-2)9-17-27;25-21-15-11-19(12-16-21)20-13-17-24(18-14-20)26(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h4-57H,1-2H2,3H3;4-21,35-36H,1-2H2,3H3;1-18H
InChIKeyAHDYEMMXCSNDRH-UHFFFAOYSA-N
MW2008.26 g/mol
LogP39.97
Rot. Bonds30

About 4-(4-bromophenyl)-N,N-diphenylaniline;4-ethenyl-N-[4-[2-[4-(4-ethenylanilino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]aniline;4-ethenyl-N-[4-[2-[4-(4-ethenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline

4-(4-bromophenyl)-N,N-diphenylaniline;4-ethenyl-N-[4-[2-[4-(4-ethenylanilino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]aniline;4-ethenyl-N-[4-[2-[4-(4-ethenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline (PubChem CID 157113904) has the molecular formula C134H106BrF6N7 and a molecular weight of 2008.26 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N,N-diphenylaniline;4-ethenyl-N-[4-[2-[4-(4-ethenylanilino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]aniline;4-ethenyl-N-[4-[2-[4-(4-ethenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline.

Molecular Properties

Compound Name4-(4-bromophenyl)-N,N-diphenylaniline;4-ethenyl-N-[4-[2-[4-(4-ethenylanilino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]aniline;4-ethenyl-N-[4-[2-[4-(4-ethenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline
PubChem CID157113904
Molecular FormulaC134H106BrF6N7
Molecular Weight2008.26 g/mol
Exact Mass2005.76
IUPAC Name4-(4-bromophenyl)-N,N-diphenylaniline;4-ethenyl-N-[4-[2-[4-(4-ethenylanilino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]aniline;4-ethenyl-N-[4-[2-[4-(4-ethenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline
SMILESBrc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.C=Cc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)c2ccc(C(C)(c3ccc(N(c4ccc(C=C)cc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)cc3)C(F)(F)F)cc2)cc1.C=Cc1ccc(Nc2ccc(C(C)(c3ccc(Nc4ccc(C=C)cc4)cc3)C(F)(F)F)cc2)cc1
InChIInChI=1S/C79H61F3N4.C31H27F3N2.C24H18BrN/c1-4-58-26-42-70(43-27-58)85(74-50-34-62(35-51-74)60-30-46-72(47-31-60)83(66-18-10-6-11-19-66)67-20-12-7-13-21-67)76-54-38-64(39-55-76)78(3,79(80,81)82)65-40-56-77(57-41-65)86(71-44-28-59(5-2)29-45-71)75-52-36-63(37-53-75)61-32-48-73(49-33-61)84(68-22-14-8-15-23-68)69-24-16-9-17-25-69;1-4-22-6-14-26(15-7-22)35-28-18-10-24(11-19-28)30(3,31(32,33)34)25-12-20-29(21-13-25)36-27-16-8-23(5-2)9-17-27;25-21-15-11-19(12-16-21)20-13-17-24(18-14-20)26(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h4-57H,1-2H2,3H3;4-21,35-36H,1-2H2,3H3;1-18H
InChIKeyAHDYEMMXCSNDRH-UHFFFAOYSA-N
XLogP39.97
TPSA40.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds30
Heavy Atoms148
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002008.26
LogP ≤ 539.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(4-bromophenyl)-N,N-diphenylaniline;4-ethenyl-N-[4-[2-[4-(4-ethenylanilino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]aniline;4-ethenyl-N-[4-[2-[4-(4-ethenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline with MolForge

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Related Compounds

N4,N4'-bis(4-bromophenyl)-N4,N4'-diphenyl-[1,1'-biphenyl]-4,4'-diamine
CID 16217991
N,N'-Bis(4-bromophenyl)benzidine
CID 16218162
N,N-di((1,1'-biphenyl)-4-yl)-4'-bromo-(1,1'-biphenyl)-4-amine
CID 58672377
n1,n1'-((Perfluoropropane-2,2-diyl)bis(4,1-phenylene)) bis(n4,n4-diphenyl-n1-(4-vinylphenyl)benzene-1,4-diamine)
CID 130474658
N-[4-(4-bromophenyl)phenyl]-N-(3-fluorophenyl)-3-methylaniline
CID 21960746
N-[2-(4-bromophenyl)-4,4,4-trifluoro-2-phenylbutyl]aniline
CID 138964161
2-bromo-N-[4-[4-(2-bromoanilino)phenyl]phenyl]aniline
CID 44195816
N-[4-(4-bromophenyl)phenyl]-3-methyl-N-phenylaniline
CID 10835582
4-Bromo-4'-(diphenylamino)biphenyl
CID 11315550
N-(4-bromophenyl)N,N'-bis(3-methylphenyl)-N'-phenyl-[1,1'-biphenyl]-4,4'-diamine
CID 23561838
4-N,4-N-bis(4-bromophenyl)-1-N,1-N-bis[4-(2-phenylpropan-2-yl)phenyl]benzene-1,4-diamine
CID 58231928
4-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]anilino]phenyl]propan-2-yl]-N,N-bis[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]aniline
CID 20679793

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N,N-diphenylaniline;4-ethenyl-N-[4-[2-[4-(4-ethenylanilino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]aniline;4-ethenyl-N-[4-[2-[4-(4-ethenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline?
The IUPAC name of 4-(4-bromophenyl)-N,N-diphenylaniline;4-ethenyl-N-[4-[2-[4-(4-ethenylanilino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]aniline;4-ethenyl-N-[4-[2-[4-(4-ethenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline (CID 157113904) is 4-(4-bromophenyl)-N,N-diphenylaniline;4-ethenyl-N-[4-[2-[4-(4-ethenylanilino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]aniline;4-ethenyl-N-[4-[2-[4-(4-ethenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline.
What is the SMILES notation for 4-(4-bromophenyl)-N,N-diphenylaniline;4-ethenyl-N-[4-[2-[4-(4-ethenylanilino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]aniline;4-ethenyl-N-[4-[2-[4-(4-ethenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline?
The canonical SMILES for 4-(4-bromophenyl)-N,N-diphenylaniline;4-ethenyl-N-[4-[2-[4-(4-ethenylanilino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]aniline;4-ethenyl-N-[4-[2-[4-(4-ethenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline is Brc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.C=Cc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)c2ccc(C(C)(c3ccc(N(c4ccc(C=C)cc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)cc3)C(F)(F)F)cc2)cc1.C=Cc1ccc(Nc2ccc(C(C)(c3ccc(Nc4ccc(C=C)cc4)cc3)C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-N,N-diphenylaniline;4-ethenyl-N-[4-[2-[4-(4-ethenylanilino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]aniline;4-ethenyl-N-[4-[2-[4-(4-ethenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline?
The InChIKey is AHDYEMMXCSNDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H61F3N4.C31H27F3N2.C24H18BrN/c1-4-58-26-42-70(43-27-58)85(74-50-34-62(35-51-74)60-30-46-72(47-31-60)83(66-18-10-6-11-19-66)67-20-12-7-13-21-67)76-54-38-64(39-55-76)78(3,79(80,81)82)65-40-56-77(57-41-65)86(71-44-28-59(5-2)29-45-71)75-52-36-63(37-53-75)61-32-48-73(49-33-61)84(68-22-14-8-15-23-68)69-24-16-9-17-25-69;1-4-22-6-14-26(15-7-22)35-28-18-10-24(11-19-28)30(3,31(32,33)34)25-12-20-29(21-13-25)36-27-16-8-23(5-2)9-17-27;25-21-15-11-19(12-16-21)20-13-17-24(18-14-20)26(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h4-57H,1-2H2,3H3;4-21,35-36H,1-2H2,3H3;1-18H.
What are the key properties of 4-(4-bromophenyl)-N,N-diphenylaniline;4-ethenyl-N-[4-[2-[4-(4-ethenylanilino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]aniline;4-ethenyl-N-[4-[2-[4-(4-ethenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline?
4-(4-bromophenyl)-N,N-diphenylaniline;4-ethenyl-N-[4-[2-[4-(4-ethenylanilino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]aniline;4-ethenyl-N-[4-[2-[4-(4-ethenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline has a molecular weight of 2008.26 g/mol, XLogP of 39.97, 30 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N,N-diphenylaniline;4-ethenyl-N-[4-[2-[4-(4-ethenylanilino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]aniline;4-ethenyl-N-[4-[2-[4-(4-ethenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline is sourced from PubChem (CID 157113904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).