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

C60H43N — CID 168788768

IUPAC4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cccc(-c6ccccc6)c5-c5ccccc5-c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C60H43N/c1-5-16-44(17-6-1)46-28-30-47(31-29-46)49-34-40-54(41-35-49)61(53-38-32-48(33-39-53)45-18-7-2-8-19-45)55-42-36-52(37-43-55)58-27-15-26-57(51-22-11-4-12-23-51)60(58)59-25-14-13-24-56(59)50-20-9-3-10-21-50/h1-43H
InChIKeySXWIHCKQJNXKDE-UHFFFAOYSA-N
MW778.01 g/mol
LogP16.83
Rot. Bonds10

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

4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline (PubChem CID 168788768) has the molecular formula C60H43N and a molecular weight of 778.01 g/mol. Its IUPAC name is 4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline.

Molecular Properties

Compound Name4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
PubChem CID168788768
Molecular FormulaC60H43N
Molecular Weight778.01 g/mol
Exact Mass777.34
IUPAC Name4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cccc(-c6ccccc6)c5-c5ccccc5-c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C60H43N/c1-5-16-44(17-6-1)46-28-30-47(31-29-46)49-34-40-54(41-35-49)61(53-38-32-48(33-39-53)45-18-7-2-8-19-45)55-42-36-52(37-43-55)58-27-15-26-57(51-22-11-4-12-23-51)60(58)59-25-14-13-24-56(59)50-20-9-3-10-21-50/h1-43H
InChIKeySXWIHCKQJNXKDE-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

4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146665483
N-[4-[2-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121386996
4-phenyl-N-[4-(19-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 176597557
2,6-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 90132236
3-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121386998
3-(2-phenylphenyl)-N,N-bis[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 146665629
N-[4-[2-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 146665574
N-[4-(2,3-diphenylphenyl)phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline
CID 146665501
N-[4-[2-(3,5-diphenylphenyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 146665575
2-phenyl-3-[4-(N-(4-phenylphenyl)anilino)phenyl]aniline
CID 151341764
1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]benzene-1,4-diamine
CID 89266505
3-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 168788673

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline?
The IUPAC name of 4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline (CID 168788768) is 4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline.
What is the SMILES notation for 4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline?
The canonical SMILES for 4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cccc(-c6ccccc6)c5-c5ccccc5-c5ccccc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline?
The InChIKey is SXWIHCKQJNXKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H43N/c1-5-16-44(17-6-1)46-28-30-47(31-29-46)49-34-40-54(41-35-49)61(53-38-32-48(33-39-53)45-18-7-2-8-19-45)55-42-36-52(37-43-55)58-27-15-26-57(51-22-11-4-12-23-51)60(58)59-25-14-13-24-56(59)50-20-9-3-10-21-50/h1-43H.
What are the key properties of 4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline?
4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]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 4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline is sourced from PubChem (CID 168788768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).