4-[4-(3,5-diphenylphenyl)-3-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline

C60H44N2 — CID 58943793

IUPAC4-[4-(3,5-diphenylphenyl)-3-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c2)cc1
InChIInChI=1S/C60H44N2/c1-7-19-45(20-8-1)50-41-51(46-21-9-2-10-22-46)43-52(42-50)59-40-35-49(47-31-36-57(37-32-47)61(53-23-11-3-12-24-53)54-25-13-4-14-26-54)44-60(59)48-33-38-58(39-34-48)62(55-27-15-5-16-28-55)56-29-17-6-18-30-56/h1-44H
InChIKeyPYXRVCXUVROQTJ-UHFFFAOYSA-N
MW793.03 g/mol
LogP16.96
Rot. Bonds11

About 4-[4-(3,5-diphenylphenyl)-3-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline

4-[4-(3,5-diphenylphenyl)-3-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline (PubChem CID 58943793) has the molecular formula C60H44N2 and a molecular weight of 793.03 g/mol. Its IUPAC name is 4-[4-(3,5-diphenylphenyl)-3-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[4-(3,5-diphenylphenyl)-3-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
PubChem CID58943793
Molecular FormulaC60H44N2
Molecular Weight793.03 g/mol
Exact Mass792.35
IUPAC Name4-[4-(3,5-diphenylphenyl)-3-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c2)cc1
InChIInChI=1S/C60H44N2/c1-7-19-45(20-8-1)50-41-51(46-21-9-2-10-22-46)43-52(42-50)59-40-35-49(47-31-36-57(37-32-47)61(53-23-11-3-12-24-53)54-25-13-4-14-26-54)44-60(59)48-33-38-58(39-34-48)62(55-27-15-5-16-28-55)56-29-17-6-18-30-56/h1-44H
InChIKeyPYXRVCXUVROQTJ-UHFFFAOYSA-N
XLogP16.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.03
LogP ≤ 516.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-4-(4-phenylphenyl)-N-[4-[4-phenyl-3-(4-phenylphenyl)phenyl]phenyl]aniline
CID 167003706
N-[4-(2,4-diphenylphenyl)phenyl]-3,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146665045
3,5-bis(2,5-diphenylphenyl)-N,N-diphenylaniline
CID 156578624
N-[4-(2,4-diphenylphenyl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)aniline
CID 146664996
N-[4-[2-(3,5-diphenylphenyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 146665575
N-[4-[2-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 146665574
N,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline
CID 18780381
4-phenyl-N,N,3-tris(4-phenylphenyl)aniline
CID 121477646
1-phenyl-3-(3-phenylphenyl)-5-[2-phenyl-5-(3-phenylphenyl)phenyl]benzene
CID 143438062
1,2,4-triphenylbenzene;1,3,5-triphenylbenzene
CID 162004033
N,N-diphenyl-4-[3-phenyl-5-[4-(N-phenylanilino)phenyl]phenyl]aniline
CID 121368277
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-[3-phenyl-4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 167003722

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,5-diphenylphenyl)-3-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline?
The IUPAC name of 4-[4-(3,5-diphenylphenyl)-3-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline (CID 58943793) is 4-[4-(3,5-diphenylphenyl)-3-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[4-(3,5-diphenylphenyl)-3-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[4-(3,5-diphenylphenyl)-3-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c2)cc1.
What is the InChIKey of 4-[4-(3,5-diphenylphenyl)-3-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline?
The InChIKey is PYXRVCXUVROQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H44N2/c1-7-19-45(20-8-1)50-41-51(46-21-9-2-10-22-46)43-52(42-50)59-40-35-49(47-31-36-57(37-32-47)61(53-23-11-3-12-24-53)54-25-13-4-14-26-54)44-60(59)48-33-38-58(39-34-48)62(55-27-15-5-16-28-55)56-29-17-6-18-30-56/h1-44H.
What are the key properties of 4-[4-(3,5-diphenylphenyl)-3-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline?
4-[4-(3,5-diphenylphenyl)-3-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline has a molecular weight of 793.03 g/mol, XLogP of 16.96, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,5-diphenylphenyl)-3-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline is sourced from PubChem (CID 58943793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).