ethane;N,N,2,4,6-pentakis-phenylaniline

C64H111N — CID 158163955

IUPACethane;N,N,2,4,6-pentakis-phenylaniline
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc(-c2cc(-c3ccccc3)c(N(c3ccccc3)c3ccccc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C36H27N.14C2H6/c1-6-16-28(17-7-1)31-26-34(29-18-8-2-9-19-29)36(35(27-31)30-20-10-3-11-21-30)37(32-22-12-4-13-23-32)33-24-14-5-15-25-33;14*1-2/h1-27H;14*1-2H3
InChIKeyFWPPIIOZKZZJTH-UHFFFAOYSA-N
MW894.60 g/mol
LogP24.52
Rot. Bonds6

About ethane;N,N,2,4,6-pentakis-phenylaniline

ethane;N,N,2,4,6-pentakis-phenylaniline (PubChem CID 158163955) has the molecular formula C64H111N and a molecular weight of 894.60 g/mol. Its IUPAC name is ethane;N,N,2,4,6-pentakis-phenylaniline.

Molecular Properties

Compound Nameethane;N,N,2,4,6-pentakis-phenylaniline
PubChem CID158163955
Molecular FormulaC64H111N
Molecular Weight894.60 g/mol
Exact Mass893.87
IUPAC Nameethane;N,N,2,4,6-pentakis-phenylaniline
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc(-c2cc(-c3ccccc3)c(N(c3ccccc3)c3ccccc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C36H27N.14C2H6/c1-6-16-28(17-7-1)31-26-34(29-18-8-2-9-19-29)36(35(27-31)30-20-10-3-11-21-30)37(32-22-12-4-13-23-32)33-24-14-5-15-25-33;14*1-2/h1-27H;14*1-2H3
InChIKeyFWPPIIOZKZZJTH-UHFFFAOYSA-N
XLogP24.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500894.60
LogP ≤ 524.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,6-triphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(2,4,6-triphenylphenyl)anilino)phenyl]phenyl]aniline
CID 90132240
N,2,4,6-tetraphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254099
4-[3-(3,5-diphenylphenyl)phenyl]-N,N,2-triphenylaniline;ethane
CID 157245116
3-N,3-N,4,6-tetraphenylbenzene-1,2,3-triamine
CID 174534266
tris(1,1'-biphenyl);N,N-diphenylaniline
CID 175290151
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-phenyl-3-(4-phenylphenyl)phenyl]phenyl]aniline
CID 167003706
4-[4-(3,5-diphenylphenyl)-3-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 58943793
N,N-diphenyl-4-[3-phenyl-5-[4-(N-phenylanilino)phenyl]phenyl]aniline
CID 121368277
2,6-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 90132236
N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;ethane
CID 143515973
1-N,3-N-bis(2,6-diphenylphenyl)-1-N,3-N,5-N,5-N-tetrakis(4-phenylphenyl)benzene-1,3,5-triamine
CID 164813761
N,9-diphenyl-N-(2,4,6-triphenylphenyl)carbazol-2-amine
CID 121287921

Frequently Asked Questions

What is the IUPAC name of ethane;N,N,2,4,6-pentakis-phenylaniline?
The IUPAC name of ethane;N,N,2,4,6-pentakis-phenylaniline (CID 158163955) is ethane;N,N,2,4,6-pentakis-phenylaniline.
What is the SMILES notation for ethane;N,N,2,4,6-pentakis-phenylaniline?
The canonical SMILES for ethane;N,N,2,4,6-pentakis-phenylaniline is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc(-c2cc(-c3ccccc3)c(N(c3ccccc3)c3ccccc3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of ethane;N,N,2,4,6-pentakis-phenylaniline?
The InChIKey is FWPPIIOZKZZJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27N.14C2H6/c1-6-16-28(17-7-1)31-26-34(29-18-8-2-9-19-29)36(35(27-31)30-20-10-3-11-21-30)37(32-22-12-4-13-23-32)33-24-14-5-15-25-33;14*1-2/h1-27H;14*1-2H3.
What are the key properties of ethane;N,N,2,4,6-pentakis-phenylaniline?
ethane;N,N,2,4,6-pentakis-phenylaniline has a molecular weight of 894.60 g/mol, XLogP of 24.52, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N,N,2,4,6-pentakis-phenylaniline is sourced from PubChem (CID 158163955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).