benzene;N,N-diphenylaniline;yttrium(3+)

C24H19NY+ — CID 20704259

IUPACbenzene;N,N-diphenylaniline;yttrium(3+)
SMILES[Y+3].[c-]1ccc(N(c2ccccc2)c2ccccc2)cc1.[c-]1ccccc1
InChIInChI=1S/C18H14N.C6H5.Y/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-5-3-1;/h1-2,4-15H;1-5H;/q2*-1;+3
InChIKeyJGAHNBCFXDVJOX-UHFFFAOYSA-N
MW410.33 g/mol
LogP6.44
Rot. Bonds3

About benzene;N,N-diphenylaniline;yttrium(3+)

benzene;N,N-diphenylaniline;yttrium(3+) (PubChem CID 20704259) has the molecular formula C24H19NY+ and a molecular weight of 410.33 g/mol. Its IUPAC name is benzene;N,N-diphenylaniline;yttrium(3+).

Molecular Properties

Compound Namebenzene;N,N-diphenylaniline;yttrium(3+)
PubChem CID20704259
Molecular FormulaC24H19NY+
Molecular Weight410.33 g/mol
Exact Mass410.06
IUPAC Namebenzene;N,N-diphenylaniline;yttrium(3+)
SMILES[Y+3].[c-]1ccc(N(c2ccccc2)c2ccccc2)cc1.[c-]1ccccc1
InChIInChI=1S/C18H14N.C6H5.Y/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-5-3-1;/h1-2,4-15H;1-5H;/q2*-1;+3
InChIKeyJGAHNBCFXDVJOX-UHFFFAOYSA-N
XLogP6.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.33
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

benzene;N,N-diphenylaniline;yttrium
CID 59973487
N-phenyl-4-phenyl-N-(4-phenylphenyl)aniline;uranium;dihydrate
CID 153161895
benzene;2H-naphthalen-2-ide;4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-4-N-phenylbenzene-1,4-diamine;tungsten
CID 164802527
N,N-diphenylaniline;silane
CID 131739129
N,N-diphenylaniline;ethene
CID 135186601
acetylene;N,N-diphenylaniline
CID 162160270
azane;N,N-diphenylaniline;methane
CID 174725062
ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine
CID 91310242
tris(1,1'-biphenyl);N,N-diphenylaniline
CID 175290151
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]aniline
CID 19708505
1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 162077719
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 158321968

Frequently Asked Questions

What is the IUPAC name of benzene;N,N-diphenylaniline;yttrium(3+)?
The IUPAC name of benzene;N,N-diphenylaniline;yttrium(3+) (CID 20704259) is benzene;N,N-diphenylaniline;yttrium(3+).
What is the SMILES notation for benzene;N,N-diphenylaniline;yttrium(3+)?
The canonical SMILES for benzene;N,N-diphenylaniline;yttrium(3+) is [Y+3].[c-]1ccc(N(c2ccccc2)c2ccccc2)cc1.[c-]1ccccc1.
What is the InChIKey of benzene;N,N-diphenylaniline;yttrium(3+)?
The InChIKey is JGAHNBCFXDVJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N.C6H5.Y/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-5-3-1;/h1-2,4-15H;1-5H;/q2*-1;+3.
What are the key properties of benzene;N,N-diphenylaniline;yttrium(3+)?
benzene;N,N-diphenylaniline;yttrium(3+) has a molecular weight of 410.33 g/mol, XLogP of 6.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;N,N-diphenylaniline;yttrium(3+) is sourced from PubChem (CID 20704259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).