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

C54H39N — CID 167003706

IUPACN-phenyl-4-(4-phenylphenyl)-N-[4-[4-phenyl-3-(4-phenylphenyl)phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(-c6ccccc6)c(-c6ccc(-c7ccccc7)cc6)c5)cc4)cc3)cc2)cc1
InChIInChI=1S/C54H39N/c1-5-13-40(14-6-1)42-21-23-44(24-22-42)45-29-34-51(35-30-45)55(50-19-11-4-12-20-50)52-36-31-46(32-37-52)49-33-38-53(47-17-9-3-10-18-47)54(39-49)48-27-25-43(26-28-48)41-15-7-2-8-16-41/h1-39H
InChIKeyZURXBHHNCDKYPB-UHFFFAOYSA-N
MW701.91 g/mol
LogP15.16
Rot. Bonds9

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

N-phenyl-4-(4-phenylphenyl)-N-[4-[4-phenyl-3-(4-phenylphenyl)phenyl]phenyl]aniline (PubChem CID 167003706) has the molecular formula C54H39N and a molecular weight of 701.91 g/mol. Its IUPAC name is N-phenyl-4-(4-phenylphenyl)-N-[4-[4-phenyl-3-(4-phenylphenyl)phenyl]phenyl]aniline.

Molecular Properties

Compound NameN-phenyl-4-(4-phenylphenyl)-N-[4-[4-phenyl-3-(4-phenylphenyl)phenyl]phenyl]aniline
PubChem CID167003706
Molecular FormulaC54H39N
Molecular Weight701.91 g/mol
Exact Mass701.31
IUPAC NameN-phenyl-4-(4-phenylphenyl)-N-[4-[4-phenyl-3-(4-phenylphenyl)phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(-c6ccccc6)c(-c6ccc(-c7ccccc7)cc6)c5)cc4)cc3)cc2)cc1
InChIInChI=1S/C54H39N/c1-5-13-40(14-6-1)42-21-23-44(24-22-42)45-29-34-51(35-30-45)55(50-19-11-4-12-20-50)52-36-31-46(32-37-52)49-33-38-53(47-17-9-3-10-18-47)54(39-49)48-27-25-43(26-28-48)41-15-7-2-8-16-41/h1-39H
InChIKeyZURXBHHNCDKYPB-UHFFFAOYSA-N
XLogP15.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.91
LogP ≤ 515.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-(3,5-diphenylphenyl)-3-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 58943793
3,5-bis(2,5-diphenylphenyl)-N,N-diphenylaniline
CID 156578624
N-[4-(2,4-diphenylphenyl)phenyl]-3,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146665045
4-phenyl-N,N,3-tris(4-phenylphenyl)aniline
CID 121477646
N,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline
CID 18780381
N-[4-(2,4-diphenylphenyl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)aniline
CID 146664996
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-[3-phenyl-4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 167003722
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
3-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121386998
N-[4-[2-[2-(2-bromophenyl)phenyl]-5-phenylphenyl]phenyl]-N,4-diphenylaniline
CID 118049360
N-[4-(3,4-diphenylphenyl)phenyl]-N,2-bis(4-phenylphenyl)aniline
CID 164831679

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-(4-phenylphenyl)-N-[4-[4-phenyl-3-(4-phenylphenyl)phenyl]phenyl]aniline?
The IUPAC name of N-phenyl-4-(4-phenylphenyl)-N-[4-[4-phenyl-3-(4-phenylphenyl)phenyl]phenyl]aniline (CID 167003706) is N-phenyl-4-(4-phenylphenyl)-N-[4-[4-phenyl-3-(4-phenylphenyl)phenyl]phenyl]aniline.
What is the SMILES notation for N-phenyl-4-(4-phenylphenyl)-N-[4-[4-phenyl-3-(4-phenylphenyl)phenyl]phenyl]aniline?
The canonical SMILES for N-phenyl-4-(4-phenylphenyl)-N-[4-[4-phenyl-3-(4-phenylphenyl)phenyl]phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(-c6ccccc6)c(-c6ccc(-c7ccccc7)cc6)c5)cc4)cc3)cc2)cc1.
What is the InChIKey of N-phenyl-4-(4-phenylphenyl)-N-[4-[4-phenyl-3-(4-phenylphenyl)phenyl]phenyl]aniline?
The InChIKey is ZURXBHHNCDKYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39N/c1-5-13-40(14-6-1)42-21-23-44(24-22-42)45-29-34-51(35-30-45)55(50-19-11-4-12-20-50)52-36-31-46(32-37-52)49-33-38-53(47-17-9-3-10-18-47)54(39-49)48-27-25-43(26-28-48)41-15-7-2-8-16-41/h1-39H.
What are the key properties of N-phenyl-4-(4-phenylphenyl)-N-[4-[4-phenyl-3-(4-phenylphenyl)phenyl]phenyl]aniline?
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-phenyl-3-(4-phenylphenyl)phenyl]phenyl]aniline has a molecular weight of 701.91 g/mol, XLogP of 15.16, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-(4-phenylphenyl)-N-[4-[4-phenyl-3-(4-phenylphenyl)phenyl]phenyl]aniline is sourced from PubChem (CID 167003706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).