1-N,1-N,3-N,3-N-tetraphenyl-5-silylbenzene-1,3-diamine

C30H26N2Si — CID 123228848

IUPAC1-N,1-N,3-N,3-N-tetraphenyl-5-silylbenzene-1,3-diamine
SMILES[SiH3]c1cc(N(c2ccccc2)c2ccccc2)cc(N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C30H26N2Si/c33-30-22-28(31(24-13-5-1-6-14-24)25-15-7-2-8-16-25)21-29(23-30)32(26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-23H,33H3
InChIKeyYLZYLSWVHZKUCV-UHFFFAOYSA-N
MW442.64 g/mol
LogP6.62
Rot. Bonds6

About 1-N,1-N,3-N,3-N-tetraphenyl-5-silylbenzene-1,3-diamine

1-N,1-N,3-N,3-N-tetraphenyl-5-silylbenzene-1,3-diamine (PubChem CID 123228848) has the molecular formula C30H26N2Si and a molecular weight of 442.64 g/mol. Its IUPAC name is 1-N,1-N,3-N,3-N-tetraphenyl-5-silylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N,3-N,3-N-tetraphenyl-5-silylbenzene-1,3-diamine
PubChem CID123228848
Molecular FormulaC30H26N2Si
Molecular Weight442.64 g/mol
Exact Mass442.19
IUPAC Name1-N,1-N,3-N,3-N-tetraphenyl-5-silylbenzene-1,3-diamine
SMILES[SiH3]c1cc(N(c2ccccc2)c2ccccc2)cc(N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C30H26N2Si/c33-30-22-28(31(24-13-5-1-6-14-24)25-15-7-2-8-16-25)21-29(23-30)32(26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-23H,33H3
InChIKeyYLZYLSWVHZKUCV-UHFFFAOYSA-N
XLogP6.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.64
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-N-[3-(N-[3-(N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]anilino)-5-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine
CID 155054486
1-N,1-N,3-N-triphenyl-3-N-[3-(N-[3-(N-[3-(N-phenylanilino)phenyl]anilino)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 58623553
1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 4163727
N,N-diphenylaniline;silane
CID 131739129
azane;N,N-diphenylaniline;methane
CID 174725062
acetylene;N,N-diphenylaniline
CID 162160270
N,N-diphenylaniline;ethene
CID 135186601
3,5-dimethyl-N,N-diphenylaniline
CID 10516410
tris(1,1'-biphenyl);N,N-diphenylaniline
CID 175290151
ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine
CID 91310242
5-(4-methylphenyl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 121295814
3,4,5-tribromo-N,N-diphenylaniline
CID 147691236

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-N,3-N-tetraphenyl-5-silylbenzene-1,3-diamine?
The IUPAC name of 1-N,1-N,3-N,3-N-tetraphenyl-5-silylbenzene-1,3-diamine (CID 123228848) is 1-N,1-N,3-N,3-N-tetraphenyl-5-silylbenzene-1,3-diamine.
What is the SMILES notation for 1-N,1-N,3-N,3-N-tetraphenyl-5-silylbenzene-1,3-diamine?
The canonical SMILES for 1-N,1-N,3-N,3-N-tetraphenyl-5-silylbenzene-1,3-diamine is [SiH3]c1cc(N(c2ccccc2)c2ccccc2)cc(N(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 1-N,1-N,3-N,3-N-tetraphenyl-5-silylbenzene-1,3-diamine?
The InChIKey is YLZYLSWVHZKUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2Si/c33-30-22-28(31(24-13-5-1-6-14-24)25-15-7-2-8-16-25)21-29(23-30)32(26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-23H,33H3.
What are the key properties of 1-N,1-N,3-N,3-N-tetraphenyl-5-silylbenzene-1,3-diamine?
1-N,1-N,3-N,3-N-tetraphenyl-5-silylbenzene-1,3-diamine has a molecular weight of 442.64 g/mol, XLogP of 6.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-N,3-N-tetraphenyl-5-silylbenzene-1,3-diamine is sourced from PubChem (CID 123228848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).