3,5-bis(2,5-diphenylphenyl)-N,N-diphenylaniline

C54H39N — CID 156578624

IUPAC3,5-bis(2,5-diphenylphenyl)-N,N-diphenylaniline
SMILESc1ccc(-c2ccc(-c3ccccc3)c(-c3cc(-c4cc(-c5ccccc5)ccc4-c4ccccc4)cc(N(c4ccccc4)c4ccccc4)c3)c2)cc1
InChIInChI=1S/C54H39N/c1-7-19-40(20-8-1)44-31-33-51(42-23-11-3-12-24-42)53(38-44)46-35-47(37-50(36-46)55(48-27-15-5-16-28-48)49-29-17-6-18-30-49)54-39-45(41-21-9-2-10-22-41)32-34-52(54)43-25-13-4-14-26-43/h1-39H
InChIKeyCKWHCJBYCSOTGK-UHFFFAOYSA-N
MW701.91 g/mol
LogP15.16
Rot. Bonds9

About 3,5-bis(2,5-diphenylphenyl)-N,N-diphenylaniline

3,5-bis(2,5-diphenylphenyl)-N,N-diphenylaniline (PubChem CID 156578624) has the molecular formula C54H39N and a molecular weight of 701.91 g/mol. Its IUPAC name is 3,5-bis(2,5-diphenylphenyl)-N,N-diphenylaniline.

Molecular Properties

Compound Name3,5-bis(2,5-diphenylphenyl)-N,N-diphenylaniline
PubChem CID156578624
Molecular FormulaC54H39N
Molecular Weight701.91 g/mol
Exact Mass701.31
IUPAC Name3,5-bis(2,5-diphenylphenyl)-N,N-diphenylaniline
SMILESc1ccc(-c2ccc(-c3ccccc3)c(-c3cc(-c4cc(-c5ccccc5)ccc4-c4ccccc4)cc(N(c4ccccc4)c4ccccc4)c3)c2)cc1
InChIInChI=1S/C54H39N/c1-7-19-40(20-8-1)44-31-33-51(42-23-11-3-12-24-42)53(38-44)46-35-47(37-50(36-46)55(48-27-15-5-16-28-48)49-29-17-6-18-30-49)54-39-45(41-21-9-2-10-22-41)32-34-52(54)43-25-13-4-14-26-43/h1-39H
InChIKeyCKWHCJBYCSOTGK-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
N-[4-(2,4-diphenylphenyl)phenyl]-3,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146665045
N-[4-(2,4-diphenylphenyl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)aniline
CID 146664996
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-phenyl-3-(4-phenylphenyl)phenyl]phenyl]aniline
CID 167003706
3-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N-(4-phenylphenyl)-N-[4-[2-(3-phenylphenyl)phenyl]phenyl]aniline;3-phenyl-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 161496261
3-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121386998
N-[4-[2-(3,5-diphenylphenyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 146665575
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
N-[4-[4-[4-(N-(3,5-diphenylphenyl)anilino)phenyl]phenyl]phenyl]-N,3,5-triphenylaniline;3,5-diphenyl-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-phenylphenyl)anilino)phenyl]phenyl]aniline;N,3,5-triphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159721159
1,2,4-triphenylbenzene;1,3,5-triphenylbenzene
CID 162004033

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2,5-diphenylphenyl)-N,N-diphenylaniline?
The IUPAC name of 3,5-bis(2,5-diphenylphenyl)-N,N-diphenylaniline (CID 156578624) is 3,5-bis(2,5-diphenylphenyl)-N,N-diphenylaniline.
What is the SMILES notation for 3,5-bis(2,5-diphenylphenyl)-N,N-diphenylaniline?
The canonical SMILES for 3,5-bis(2,5-diphenylphenyl)-N,N-diphenylaniline is c1ccc(-c2ccc(-c3ccccc3)c(-c3cc(-c4cc(-c5ccccc5)ccc4-c4ccccc4)cc(N(c4ccccc4)c4ccccc4)c3)c2)cc1.
What is the InChIKey of 3,5-bis(2,5-diphenylphenyl)-N,N-diphenylaniline?
The InChIKey is CKWHCJBYCSOTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39N/c1-7-19-40(20-8-1)44-31-33-51(42-23-11-3-12-24-42)53(38-44)46-35-47(37-50(36-46)55(48-27-15-5-16-28-48)49-29-17-6-18-30-49)54-39-45(41-21-9-2-10-22-41)32-34-52(54)43-25-13-4-14-26-43/h1-39H.
What are the key properties of 3,5-bis(2,5-diphenylphenyl)-N,N-diphenylaniline?
3,5-bis(2,5-diphenylphenyl)-N,N-diphenylaniline 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 3,5-bis(2,5-diphenylphenyl)-N,N-diphenylaniline is sourced from PubChem (CID 156578624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).