4-[3-(3,5-diphenylphenyl)phenyl]-N,N,2-triphenylaniline;ethane

C68H95N — CID 157245116

IUPAC4-[3-(3,5-diphenylphenyl)phenyl]-N,N,2-triphenylaniline;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4ccc(N(c5ccccc5)c5ccccc5)c(-c5ccccc5)c4)c3)c2)cc1
InChIInChI=1S/C48H35N.10C2H6/c1-6-17-36(18-7-1)42-32-43(37-19-8-2-9-20-37)34-44(33-42)40-24-16-23-39(31-40)41-29-30-48(47(35-41)38-21-10-3-11-22-38)49(45-25-12-4-13-26-45)46-27-14-5-15-28-46;10*1-2/h1-35H;10*1-2H3
InChIKeyAVRATNLPMJFMHF-UHFFFAOYSA-N
MW926.51 g/mol
LogP23.75
Rot. Bonds8

About 4-[3-(3,5-diphenylphenyl)phenyl]-N,N,2-triphenylaniline;ethane

4-[3-(3,5-diphenylphenyl)phenyl]-N,N,2-triphenylaniline;ethane (PubChem CID 157245116) has the molecular formula C68H95N and a molecular weight of 926.51 g/mol. Its IUPAC name is 4-[3-(3,5-diphenylphenyl)phenyl]-N,N,2-triphenylaniline;ethane.

Molecular Properties

Compound Name4-[3-(3,5-diphenylphenyl)phenyl]-N,N,2-triphenylaniline;ethane
PubChem CID157245116
Molecular FormulaC68H95N
Molecular Weight926.51 g/mol
Exact Mass925.75
IUPAC Name4-[3-(3,5-diphenylphenyl)phenyl]-N,N,2-triphenylaniline;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4ccc(N(c5ccccc5)c5ccccc5)c(-c5ccccc5)c4)c3)c2)cc1
InChIInChI=1S/C48H35N.10C2H6/c1-6-17-36(18-7-1)42-32-43(37-19-8-2-9-20-37)34-44(33-42)40-24-16-23-39(31-40)41-29-30-48(47(35-41)38-21-10-3-11-22-38)49(45-25-12-4-13-26-45)46-27-14-5-15-28-46;10*1-2/h1-35H;10*1-2H3
InChIKeyAVRATNLPMJFMHF-UHFFFAOYSA-N
XLogP23.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500926.51
LogP ≤ 523.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-[3-(3,5-diphenylphenyl)phenyl]-N,N,2-triphenylaniline;ethane with MolForge

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Related Compounds

N,2,4-triphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 122419765
2-phenyl-N,N,4-tris(4-phenylphenyl)aniline
CID 155123029
N,N-bis(4-methylphenyl)-2,4-diphenylaniline
CID 22899750
N-(4-naphthalen-2-ylphenyl)-N,2-diphenyl-4-(3-phenylphenyl)aniline
CID 155123170
N-(3-ethylphenyl)-N,2,4-triphenylaniline
CID 20734354
2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254123
ethane;N,N,2,4,5-pentakis-phenylaniline;N,N,2,4-tetraphenylaniline;N,N,2,5-tetraphenylaniline;N,N,2-triphenylaniline
CID 160837320
4-(2,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155122963
N,2-diphenyl-N-(2-phenylphenyl)-4-[3-phenyl-4-(N-(2-phenylphenyl)anilino)phenyl]aniline
CID 121322799
2-(3,5-diphenylphenyl)-N,N-bis(3-phenylphenyl)aniline;3,5-diphenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline;ethane
CID 145096303
1-N,3-N,4,6-tetraphenyl-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 118603843
N,N-bis(4-bromophenyl)-2,4-diphenylaniline
CID 146208364

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,5-diphenylphenyl)phenyl]-N,N,2-triphenylaniline;ethane?
The IUPAC name of 4-[3-(3,5-diphenylphenyl)phenyl]-N,N,2-triphenylaniline;ethane (CID 157245116) is 4-[3-(3,5-diphenylphenyl)phenyl]-N,N,2-triphenylaniline;ethane.
What is the SMILES notation for 4-[3-(3,5-diphenylphenyl)phenyl]-N,N,2-triphenylaniline;ethane?
The canonical SMILES for 4-[3-(3,5-diphenylphenyl)phenyl]-N,N,2-triphenylaniline;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4ccc(N(c5ccccc5)c5ccccc5)c(-c5ccccc5)c4)c3)c2)cc1.
What is the InChIKey of 4-[3-(3,5-diphenylphenyl)phenyl]-N,N,2-triphenylaniline;ethane?
The InChIKey is AVRATNLPMJFMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35N.10C2H6/c1-6-17-36(18-7-1)42-32-43(37-19-8-2-9-20-37)34-44(33-42)40-24-16-23-39(31-40)41-29-30-48(47(35-41)38-21-10-3-11-22-38)49(45-25-12-4-13-26-45)46-27-14-5-15-28-46;10*1-2/h1-35H;10*1-2H3.
What are the key properties of 4-[3-(3,5-diphenylphenyl)phenyl]-N,N,2-triphenylaniline;ethane?
4-[3-(3,5-diphenylphenyl)phenyl]-N,N,2-triphenylaniline;ethane has a molecular weight of 926.51 g/mol, XLogP of 23.75, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,5-diphenylphenyl)phenyl]-N,N,2-triphenylaniline;ethane is sourced from PubChem (CID 157245116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).