N-benzyl-N-phenylaniline;ethane;ethylbenzene;4-ethyl-N,N-diphenylaniline;N-ethyl-N-phenylaniline

C71H91N3 — CID 159513520

IUPACN-benzyl-N-phenylaniline;ethane;ethylbenzene;4-ethyl-N,N-diphenylaniline;N-ethyl-N-phenylaniline
SMILESCC.CC.CC.CC.CC.CCN(c1ccccc1)c1ccccc1.CCc1ccc(N(c2ccccc2)c2ccccc2)cc1.CCc1ccccc1.c1ccc(CN(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H19N.C19H17N.C14H15N.C8H10.5C2H6/c1-2-17-13-15-20(16-14-17)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19;1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19;1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-2-8-6-4-3-5-7-8;5*1-2/h3-16H,2H2,1H3;1-15H,16H2;3-12H,2H2,1H3;3-7H,2H2,1H3;5*1-2H3
InChIKeyMAWYTKDKQWNFMJ-UHFFFAOYSA-N
MW986.53 g/mol
LogP21.97
Rot. Bonds12

About N-benzyl-N-phenylaniline;ethane;ethylbenzene;4-ethyl-N,N-diphenylaniline;N-ethyl-N-phenylaniline

N-benzyl-N-phenylaniline;ethane;ethylbenzene;4-ethyl-N,N-diphenylaniline;N-ethyl-N-phenylaniline (PubChem CID 159513520) has the molecular formula C71H91N3 and a molecular weight of 986.53 g/mol. Its IUPAC name is N-benzyl-N-phenylaniline;ethane;ethylbenzene;4-ethyl-N,N-diphenylaniline;N-ethyl-N-phenylaniline.

Molecular Properties

Compound NameN-benzyl-N-phenylaniline;ethane;ethylbenzene;4-ethyl-N,N-diphenylaniline;N-ethyl-N-phenylaniline
PubChem CID159513520
Molecular FormulaC71H91N3
Molecular Weight986.53 g/mol
Exact Mass985.72
IUPAC NameN-benzyl-N-phenylaniline;ethane;ethylbenzene;4-ethyl-N,N-diphenylaniline;N-ethyl-N-phenylaniline
SMILESCC.CC.CC.CC.CC.CCN(c1ccccc1)c1ccccc1.CCc1ccc(N(c2ccccc2)c2ccccc2)cc1.CCc1ccccc1.c1ccc(CN(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H19N.C19H17N.C14H15N.C8H10.5C2H6/c1-2-17-13-15-20(16-14-17)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19;1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19;1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-2-8-6-4-3-5-7-8;5*1-2/h3-16H,2H2,1H3;1-15H,16H2;3-12H,2H2,1H3;3-7H,2H2,1H3;5*1-2H3
InChIKeyMAWYTKDKQWNFMJ-UHFFFAOYSA-N
XLogP21.97
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500986.53
LogP ≤ 521.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diphenyl-4-[4-[4-[(N-phenylanilino)methyl]phenyl]phenyl]aniline
CID 155085132
N-(4-ethylphenyl)-4-methyl-N-phenylaniline
CID 58800452
1-N,1-N,4-N,4-N-tetrakis(4-ethylphenyl)benzene-1,4-diamine
CID 58862530
4-ethyl-N-(4-fluorophenyl)-N-phenylaniline
CID 154721984
4-ethyl-N-[4-[4-[4-(4-ethyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121323857
4-ethyl-N-[4-[(E)-2-[4-(N-(4-ethylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline
CID 59722336
ethane;ethylbenzene
CID 90887003
ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine
CID 91310242
N-(4-ethylphenyl)-N-phenylnaphthalen-2-amine
CID 15445670
ethane;4-ethyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-ethyl-N-(4-ethylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-ethylphenyl)aniline;4-methyl-N-[4-[2-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 91530733
ethane;ethylbenzene;propane
CID 91199618
ethylcyclodecapentaene
CID 90861705

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-phenylaniline;ethane;ethylbenzene;4-ethyl-N,N-diphenylaniline;N-ethyl-N-phenylaniline?
The IUPAC name of N-benzyl-N-phenylaniline;ethane;ethylbenzene;4-ethyl-N,N-diphenylaniline;N-ethyl-N-phenylaniline (CID 159513520) is N-benzyl-N-phenylaniline;ethane;ethylbenzene;4-ethyl-N,N-diphenylaniline;N-ethyl-N-phenylaniline.
What is the SMILES notation for N-benzyl-N-phenylaniline;ethane;ethylbenzene;4-ethyl-N,N-diphenylaniline;N-ethyl-N-phenylaniline?
The canonical SMILES for N-benzyl-N-phenylaniline;ethane;ethylbenzene;4-ethyl-N,N-diphenylaniline;N-ethyl-N-phenylaniline is CC.CC.CC.CC.CC.CCN(c1ccccc1)c1ccccc1.CCc1ccc(N(c2ccccc2)c2ccccc2)cc1.CCc1ccccc1.c1ccc(CN(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-benzyl-N-phenylaniline;ethane;ethylbenzene;4-ethyl-N,N-diphenylaniline;N-ethyl-N-phenylaniline?
The InChIKey is MAWYTKDKQWNFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N.C19H17N.C14H15N.C8H10.5C2H6/c1-2-17-13-15-20(16-14-17)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19;1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19;1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-2-8-6-4-3-5-7-8;5*1-2/h3-16H,2H2,1H3;1-15H,16H2;3-12H,2H2,1H3;3-7H,2H2,1H3;5*1-2H3.
What are the key properties of N-benzyl-N-phenylaniline;ethane;ethylbenzene;4-ethyl-N,N-diphenylaniline;N-ethyl-N-phenylaniline?
N-benzyl-N-phenylaniline;ethane;ethylbenzene;4-ethyl-N,N-diphenylaniline;N-ethyl-N-phenylaniline has a molecular weight of 986.53 g/mol, XLogP of 21.97, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-phenylaniline;ethane;ethylbenzene;4-ethyl-N,N-diphenylaniline;N-ethyl-N-phenylaniline is sourced from PubChem (CID 159513520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).