2-[diphenyl-[3-(N-phenylanilino)phenyl]silyl]-N,N-diphenylaniline

C48H38N2Si — CID 168726067

IUPAC2-[diphenyl-[3-(N-phenylanilino)phenyl]silyl]-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3N(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C48H38N2Si/c1-7-22-39(23-8-1)49(40-24-9-2-10-25-40)43-30-21-35-46(38-43)51(44-31-15-5-16-32-44,45-33-17-6-18-34-45)48-37-20-19-36-47(48)50(41-26-11-3-12-27-41)42-28-13-4-14-29-42/h1-38H
InChIKeyYIQMDXALBABKIS-UHFFFAOYSA-N
MW670.93 g/mol
LogP10.00
Rot. Bonds10

About 2-[diphenyl-[3-(N-phenylanilino)phenyl]silyl]-N,N-diphenylaniline

2-[diphenyl-[3-(N-phenylanilino)phenyl]silyl]-N,N-diphenylaniline (PubChem CID 168726067) has the molecular formula C48H38N2Si and a molecular weight of 670.93 g/mol. Its IUPAC name is 2-[diphenyl-[3-(N-phenylanilino)phenyl]silyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name2-[diphenyl-[3-(N-phenylanilino)phenyl]silyl]-N,N-diphenylaniline
PubChem CID168726067
Molecular FormulaC48H38N2Si
Molecular Weight670.93 g/mol
Exact Mass670.28
IUPAC Name2-[diphenyl-[3-(N-phenylanilino)phenyl]silyl]-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3N(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C48H38N2Si/c1-7-22-39(23-8-1)49(40-24-9-2-10-25-40)43-30-21-35-46(38-43)51(44-31-15-5-16-32-44,45-33-17-6-18-34-45)48-37-20-19-36-47(48)50(41-26-11-3-12-27-41)42-28-13-4-14-29-42/h1-38H
InChIKeyYIQMDXALBABKIS-UHFFFAOYSA-N
XLogP10.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.93
LogP ≤ 510.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9,9-dimethyl-N-[3-[[2-(N-naphthalen-2-ylanilino)phenyl]-diphenylsilyl]phenyl]-N-phenylfluoren-3-amine
CID 168725987
9,9-dimethyl-N-[3-[[2-(N-naphthalen-1-ylanilino)phenyl]-diphenylsilyl]phenyl]-N-phenylfluoren-3-amine
CID 168725952
N-[3-[[2-(N-(9,9-dimethylfluoren-3-yl)anilino)phenyl]-diphenylsilyl]phenyl]-N-phenyldibenzofuran-2-amine
CID 168725958
N-[3-[diphenyl-[4-(N-phenylanilino)phenyl]silyl]phenyl]-9,9-dimethyl-N-phenylfluoren-4-amine
CID 168726066
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
9,9-dimethyl-N-[3-[[3-(N-naphthalen-1-ylanilino)phenyl]-diphenylsilyl]phenyl]-N-phenylfluoren-3-amine
CID 168725930
1-N,2-N-diphenyl-1-N,2-N-bis[4-(N-phenylanilino)phenyl]benzene-1,2-diamine
CID 24872736
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
N,7-diphenyl-N-(3-triphenylsilylphenyl)dibenzothiophen-3-amine;N-naphthalen-1-yl-7-phenyl-N-(3-triphenylsilylphenyl)dibenzothiophen-3-amine;7-phenyl-N-(3-phenylphenyl)-N-(3-triphenylsilylphenyl)dibenzothiophen-3-amine;7-phenyl-N-(4-phenylphenyl)-N-(3-triphenylsilylphenyl)dibenzothiophen-3-amine
CID 163784343
4-[phenanthren-9-yl(diphenyl)silyl]-N,N-diphenylaniline
CID 123354149
N-phenyl-3-pyrimidin-2-yl-N-(3-pyrimidin-2-ylphenyl)aniline
CID 157447989

Frequently Asked Questions

What is the IUPAC name of 2-[diphenyl-[3-(N-phenylanilino)phenyl]silyl]-N,N-diphenylaniline?
The IUPAC name of 2-[diphenyl-[3-(N-phenylanilino)phenyl]silyl]-N,N-diphenylaniline (CID 168726067) is 2-[diphenyl-[3-(N-phenylanilino)phenyl]silyl]-N,N-diphenylaniline.
What is the SMILES notation for 2-[diphenyl-[3-(N-phenylanilino)phenyl]silyl]-N,N-diphenylaniline?
The canonical SMILES for 2-[diphenyl-[3-(N-phenylanilino)phenyl]silyl]-N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3N(c3ccccc3)c3ccccc3)c2)cc1.
What is the InChIKey of 2-[diphenyl-[3-(N-phenylanilino)phenyl]silyl]-N,N-diphenylaniline?
The InChIKey is YIQMDXALBABKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38N2Si/c1-7-22-39(23-8-1)49(40-24-9-2-10-25-40)43-30-21-35-46(38-43)51(44-31-15-5-16-32-44,45-33-17-6-18-34-45)48-37-20-19-36-47(48)50(41-26-11-3-12-27-41)42-28-13-4-14-29-42/h1-38H.
What are the key properties of 2-[diphenyl-[3-(N-phenylanilino)phenyl]silyl]-N,N-diphenylaniline?
2-[diphenyl-[3-(N-phenylanilino)phenyl]silyl]-N,N-diphenylaniline has a molecular weight of 670.93 g/mol, XLogP of 10.00, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[diphenyl-[3-(N-phenylanilino)phenyl]silyl]-N,N-diphenylaniline is sourced from PubChem (CID 168726067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).