4-(4-anilinophenyl)-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline

C54H41N3 — CID 69462597

IUPAC4-(4-anilinophenyl)-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(Nc2ccc(-c3ccc(Nc4ccc(-c5ccccc5)cc4)cc3-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C54H41N3/c1-5-13-40(14-6-1)42-25-31-48(32-26-42)56-49-35-38-53(44-27-33-47(34-28-44)55-46-15-7-2-8-16-46)54(39-49)45-23-21-41(22-24-45)43-29-36-52(37-30-43)57(50-17-9-3-10-18-50)51-19-11-4-12-20-51/h1-39,55-56H
InChIKeyJFQZQYJIGIXHRK-UHFFFAOYSA-N
MW731.94 g/mol
LogP15.31
Rot. Bonds11

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

4-(4-anilinophenyl)-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 69462597) has the molecular formula C54H41N3 and a molecular weight of 731.94 g/mol. Its IUPAC name is 4-(4-anilinophenyl)-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name4-(4-anilinophenyl)-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
PubChem CID69462597
Molecular FormulaC54H41N3
Molecular Weight731.94 g/mol
Exact Mass731.33
IUPAC Name4-(4-anilinophenyl)-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(Nc2ccc(-c3ccc(Nc4ccc(-c5ccccc5)cc4)cc3-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C54H41N3/c1-5-13-40(14-6-1)42-25-31-48(32-26-42)56-49-35-38-53(44-27-33-47(34-28-44)55-46-15-7-2-8-16-46)54(39-49)45-23-21-41(22-24-45)43-29-36-52(37-30-43)57(50-17-9-3-10-18-50)51-19-11-4-12-20-51/h1-39,55-56H
InChIKeyJFQZQYJIGIXHRK-UHFFFAOYSA-N
XLogP15.31
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.94
LogP ≤ 515.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(N-methylanilino)phenyl]-N,3-diphenylaniline
CID 150794523
4-N-[4-(4-anilinophenyl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 127255463
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-phenyl-3-(4-phenylphenyl)phenyl]phenyl]aniline
CID 167003706
N,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline
CID 18780381
4-phenyl-N,N,3-tris(4-phenylphenyl)aniline
CID 121477646
4-(4-anilinophenyl)-N,N-bis(4-phenylphenyl)naphthalen-1-amine
CID 59181360
2-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline
CID 129300972
4-[4,5-diphenyl-2-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 58943769
N-[4-[2-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121386996
N-phenyl-4-[6-[4-(N-phenylanilino)phenyl]pyren-1-yl]aniline
CID 90215363
4-[4-(3,5-diphenylphenyl)-3-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 58943793
N-[4-(4-anilinophenyl)phenyl]-N-phenylnaphthalen-2-amine
CID 22389712

Frequently Asked Questions

What is the IUPAC name of 4-(4-anilinophenyl)-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 4-(4-anilinophenyl)-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline (CID 69462597) is 4-(4-anilinophenyl)-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 4-(4-anilinophenyl)-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 4-(4-anilinophenyl)-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline is c1ccc(Nc2ccc(-c3ccc(Nc4ccc(-c5ccccc5)cc4)cc3-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-(4-anilinophenyl)-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is JFQZQYJIGIXHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H41N3/c1-5-13-40(14-6-1)42-25-31-48(32-26-42)56-49-35-38-53(44-27-33-47(34-28-44)55-46-15-7-2-8-16-46)54(39-49)45-23-21-41(22-24-45)43-29-36-52(37-30-43)57(50-17-9-3-10-18-50)51-19-11-4-12-20-51/h1-39,55-56H.
What are the key properties of 4-(4-anilinophenyl)-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline?
4-(4-anilinophenyl)-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 731.94 g/mol, XLogP of 15.31, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-anilinophenyl)-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 69462597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).