N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-3-(2,4,6-triphenylphenyl)aniline

C60H43N — CID 126492683

IUPACN-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-3-(2,4,6-triphenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3cccc(-c4c(-c5ccccc5)cc(-c5ccccc5)cc4-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C60H43N/c1-6-18-44(19-7-1)47-32-36-55(37-33-47)61(56-38-34-48(35-39-56)52-29-16-28-51(40-52)45-20-8-2-9-21-45)57-31-17-30-53(41-57)60-58(49-24-12-4-13-25-49)42-54(46-22-10-3-11-23-46)43-59(60)50-26-14-5-15-27-50/h1-43H
InChIKeyNCNSFJWHYHWFMM-UHFFFAOYSA-N
MW778.01 g/mol
LogP16.83
Rot. Bonds10

About N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-3-(2,4,6-triphenylphenyl)aniline

N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-3-(2,4,6-triphenylphenyl)aniline (PubChem CID 126492683) has the molecular formula C60H43N and a molecular weight of 778.01 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-3-(2,4,6-triphenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-3-(2,4,6-triphenylphenyl)aniline
PubChem CID126492683
Molecular FormulaC60H43N
Molecular Weight778.01 g/mol
Exact Mass777.34
IUPAC NameN-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-3-(2,4,6-triphenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3cccc(-c4c(-c5ccccc5)cc(-c5ccccc5)cc4-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C60H43N/c1-6-18-44(19-7-1)47-32-36-55(37-33-47)61(56-38-34-48(35-39-56)52-29-16-28-51(40-52)45-20-8-2-9-21-45)57-31-17-30-53(41-57)60-58(49-24-12-4-13-25-49)42-54(46-22-10-3-11-23-46)43-59(60)50-26-14-5-15-27-50/h1-43H
InChIKeyNCNSFJWHYHWFMM-UHFFFAOYSA-N
XLogP16.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.01
LogP ≤ 516.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,7-diphenyl-N-[3-(2,4,6-triphenylphenyl)phenyl]naphthalen-2-amine
CID 166679452
N-[4-(2,4-diphenylphenyl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)aniline
CID 146664996
N,N-diphenyl-3-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 118689272
3-[4-(N-phenylanilino)phenyl]-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 126502501
N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(2,4,6-triphenylphenyl)aniline
CID 166679444
3-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N-(4-phenylphenyl)-N-[4-[2-(3-phenylphenyl)phenyl]phenyl]aniline;3-phenyl-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 161496261
3-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121386998
N,3-diphenyl-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 59090384
N,N-diphenyl-3-[4-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline;N,N-diphenyl-3-[4-[3-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 159305688
N,3-diphenyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 22013506
N-[4-(2,3-diphenylphenyl)phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline
CID 146665501
N,N-diphenylaniline;N,4-diphenyl-N-(4-phenylphenyl)aniline;ethane;3-phenyl-N,N-bis(3-phenylphenyl)aniline;4-phenyl-N,N-bis(4-phenylphenyl)aniline;N,N,4-triphenylaniline;N,3,5-triphenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 159185873

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-3-(2,4,6-triphenylphenyl)aniline?
The IUPAC name of N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-3-(2,4,6-triphenylphenyl)aniline (CID 126492683) is N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-3-(2,4,6-triphenylphenyl)aniline.
What is the SMILES notation for N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-3-(2,4,6-triphenylphenyl)aniline?
The canonical SMILES for N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-3-(2,4,6-triphenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3cccc(-c4c(-c5ccccc5)cc(-c5ccccc5)cc4-c4ccccc4)c3)cc2)cc1.
What is the InChIKey of N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-3-(2,4,6-triphenylphenyl)aniline?
The InChIKey is NCNSFJWHYHWFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H43N/c1-6-18-44(19-7-1)47-32-36-55(37-33-47)61(56-38-34-48(35-39-56)52-29-16-28-51(40-52)45-20-8-2-9-21-45)57-31-17-30-53(41-57)60-58(49-24-12-4-13-25-49)42-54(46-22-10-3-11-23-46)43-59(60)50-26-14-5-15-27-50/h1-43H.
What are the key properties of N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-3-(2,4,6-triphenylphenyl)aniline?
N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-3-(2,4,6-triphenylphenyl)aniline has a molecular weight of 778.01 g/mol, XLogP of 16.83, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-3-(2,4,6-triphenylphenyl)aniline is sourced from PubChem (CID 126492683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).