4-[4,5-diphenyl-2-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline

C54H40N2 — CID 58943769

IUPAC4-[4,5-diphenyl-2-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
SMILESc1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C54H40N2/c1-7-19-41(20-8-1)51-39-53(43-31-35-49(36-32-43)55(45-23-11-3-12-24-45)46-25-13-4-14-26-46)54(40-52(51)42-21-9-2-10-22-42)44-33-37-50(38-34-44)56(47-27-15-5-16-28-47)48-29-17-6-18-30-48/h1-40H
InChIKeyJOXKMGAJLZHQNH-UHFFFAOYSA-N
MW716.93 g/mol
LogP15.29
Rot. Bonds10

About 4-[4,5-diphenyl-2-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline

4-[4,5-diphenyl-2-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline (PubChem CID 58943769) has the molecular formula C54H40N2 and a molecular weight of 716.93 g/mol. Its IUPAC name is 4-[4,5-diphenyl-2-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[4,5-diphenyl-2-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
PubChem CID58943769
Molecular FormulaC54H40N2
Molecular Weight716.93 g/mol
Exact Mass716.32
IUPAC Name4-[4,5-diphenyl-2-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
SMILESc1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C54H40N2/c1-7-19-41(20-8-1)51-39-53(43-31-35-49(36-32-43)55(45-23-11-3-12-24-45)46-25-13-4-14-26-46)54(40-52(51)42-21-9-2-10-22-42)44-33-37-50(38-34-44)56(47-27-15-5-16-28-47)48-29-17-6-18-30-48/h1-40H
InChIKeyJOXKMGAJLZHQNH-UHFFFAOYSA-N
XLogP15.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.93
LogP ≤ 515.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diphenyl-4-[4-[3,6,7-tris[4-[4-(N-phenylanilino)phenyl]phenyl]biphenylen-2-yl]phenyl]aniline
CID 163604474
4-[4-(4-chlorophenyl)-2,5-diphenylphenyl]-N,N-diphenylaniline
CID 176611385
N,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline
CID 18780381
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-phenyl-3-(4-phenylphenyl)phenyl]phenyl]aniline
CID 167003706
N-[4-[2-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121386996
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 160679121
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158445844
1-N-phenyl-4-N,4-N-bis(4-phenylphenyl)-1-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 59742279
1-N,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59738711
1-N,1-N-diphenyl-4-N-[4-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59601029

Frequently Asked Questions

What is the IUPAC name of 4-[4,5-diphenyl-2-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline?
The IUPAC name of 4-[4,5-diphenyl-2-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline (CID 58943769) is 4-[4,5-diphenyl-2-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[4,5-diphenyl-2-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[4,5-diphenyl-2-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline is c1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2-c2ccccc2)cc1.
What is the InChIKey of 4-[4,5-diphenyl-2-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline?
The InChIKey is JOXKMGAJLZHQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H40N2/c1-7-19-41(20-8-1)51-39-53(43-31-35-49(36-32-43)55(45-23-11-3-12-24-45)46-25-13-4-14-26-46)54(40-52(51)42-21-9-2-10-22-42)44-33-37-50(38-34-44)56(47-27-15-5-16-28-47)48-29-17-6-18-30-48/h1-40H.
What are the key properties of 4-[4,5-diphenyl-2-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline?
4-[4,5-diphenyl-2-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline has a molecular weight of 716.93 g/mol, XLogP of 15.29, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,5-diphenyl-2-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline is sourced from PubChem (CID 58943769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).