N-[4-[[4-[N-(2,4-dimethylphenyl)-4-(4-methylphenyl)anilino]phenyl]-dimethylsilyl]phenyl]-N,2,4-trimethylaniline

C44H46N2Si — CID 23593138

IUPACN-[4-[[4-[N-(2,4-dimethylphenyl)-4-(4-methylphenyl)anilino]phenyl]-dimethylsilyl]phenyl]-N,2,4-trimethylaniline
SMILESCc1ccc(-c2ccc(N(c3ccc([Si](C)(C)c4ccc(N(C)c5ccc(C)cc5C)cc4)cc3)c3ccc(C)cc3C)cc2)cc1
InChIInChI=1S/C44H46N2Si/c1-31-9-13-36(14-10-31)37-15-17-39(18-16-37)46(44-28-12-33(3)30-35(44)5)40-21-25-42(26-22-40)47(7,8)41-23-19-38(20-24-41)45(6)43-27-11-32(2)29-34(43)4/h9-30H,1-8H3
InChIKeyUKCHUTKGXPWNMF-UHFFFAOYSA-N
MW630.95 g/mol
LogP10.96
Rot. Bonds8

About N-[4-[[4-[N-(2,4-dimethylphenyl)-4-(4-methylphenyl)anilino]phenyl]-dimethylsilyl]phenyl]-N,2,4-trimethylaniline

N-[4-[[4-[N-(2,4-dimethylphenyl)-4-(4-methylphenyl)anilino]phenyl]-dimethylsilyl]phenyl]-N,2,4-trimethylaniline (PubChem CID 23593138) has the molecular formula C44H46N2Si and a molecular weight of 630.95 g/mol. Its IUPAC name is N-[4-[[4-[N-(2,4-dimethylphenyl)-4-(4-methylphenyl)anilino]phenyl]-dimethylsilyl]phenyl]-N,2,4-trimethylaniline.

Molecular Properties

Compound NameN-[4-[[4-[N-(2,4-dimethylphenyl)-4-(4-methylphenyl)anilino]phenyl]-dimethylsilyl]phenyl]-N,2,4-trimethylaniline
PubChem CID23593138
Molecular FormulaC44H46N2Si
Molecular Weight630.95 g/mol
Exact Mass630.34
IUPAC NameN-[4-[[4-[N-(2,4-dimethylphenyl)-4-(4-methylphenyl)anilino]phenyl]-dimethylsilyl]phenyl]-N,2,4-trimethylaniline
SMILESCc1ccc(-c2ccc(N(c3ccc([Si](C)(C)c4ccc(N(C)c5ccc(C)cc5C)cc4)cc3)c3ccc(C)cc3C)cc2)cc1
InChIInChI=1S/C44H46N2Si/c1-31-9-13-36(14-10-31)37-15-17-39(18-16-37)46(44-28-12-33(3)30-35(44)5)40-21-25-42(26-22-40)47(7,8)41-23-19-38(20-24-41)45(6)43-27-11-32(2)29-34(43)4/h9-30H,1-8H3
InChIKeyUKCHUTKGXPWNMF-UHFFFAOYSA-N
XLogP10.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.95
LogP ≤ 510.96
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

N-[4-[4-[N-(2,4-dimethylphenyl)-4-[4-(N-(2,4-dimethylphenyl)-4-methylanilino)phenyl]anilino]phenyl]phenyl]-N,2,4-trimethylaniline
CID 23594446
N,2-dimethyl-4-[3-methyl-4-(N-(4-methylphenyl)anilino)phenyl]-N-phenylaniline
CID 58038455
N-[4-[dimethyl-(4-methylphenyl)silyl]phenyl]-N,4-dimethylaniline
CID 23593172
N-[4-[dimethyl-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]silyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 71342733
2-methyl-4-[3-methyl-4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline
CID 71277286
3-N,6-N-bis(2,4-dimethylphenyl)-6-N-methyl-3-N-[4-(4-methylphenyl)phenyl]-9,9-diphenylfluorene-3,6-diamine
CID 23593401
N-(2,4-dimethylphenyl)-6-[6-[6-[N-(2,4-dimethylphenyl)-4-(4-methylphenyl)anilino]-2-pyridinyl]-2-pyridinyl]-N-methylpyridin-2-amine
CID 23593086
4-[dimethyl-(4-methylphenyl)silyl]-N-methyl-N-phenylaniline
CID 23593074
4,6-dimethyl-1-N,1-N,3-N,3-N-tetrakis[4-(4-methylphenyl)phenyl]benzene-1,3-diamine
CID 101478385
2-N,8-N-bis(2,4-dimethylphenyl)-2-N-methyl-8-N-[4-(4-methylphenyl)phenyl]dibenzothiophene-2,8-diamine;2-N-methyl-2-N,8-N-bis(3-methylphenyl)-8-N-[4-(4-methylphenyl)phenyl]dibenzothiophene-2,8-diamine
CID 157317728
N-[4-[4-(4-fluoro-N-methylanilino)phenyl]phenyl]-2,4-dimethyl-N-[4-(4-methylphenyl)phenyl]aniline;N-[4-[4-(4-fluoro-N-methylanilino)phenyl]phenyl]-3,4-dimethyl-N-[4-(4-methylphenyl)phenyl]aniline;N-[4-[4-(4-fluoro-N-methylanilino)phenyl]phenyl]-4-methyl-N-[4-(4-methylphenyl)phenyl]aniline;4-methyl-N-[4-(4-methylphenyl)phenyl]-N-[4-[4-[N-methyl-4-(trifluoromethyl)anilino]phenyl]phenyl]aniline
CID 159616111
2-methyl-4-phenyl-N,N-bis(4-phenylphenyl)aniline
CID 90277832

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[N-(2,4-dimethylphenyl)-4-(4-methylphenyl)anilino]phenyl]-dimethylsilyl]phenyl]-N,2,4-trimethylaniline?
The IUPAC name of N-[4-[[4-[N-(2,4-dimethylphenyl)-4-(4-methylphenyl)anilino]phenyl]-dimethylsilyl]phenyl]-N,2,4-trimethylaniline (CID 23593138) is N-[4-[[4-[N-(2,4-dimethylphenyl)-4-(4-methylphenyl)anilino]phenyl]-dimethylsilyl]phenyl]-N,2,4-trimethylaniline.
What is the SMILES notation for N-[4-[[4-[N-(2,4-dimethylphenyl)-4-(4-methylphenyl)anilino]phenyl]-dimethylsilyl]phenyl]-N,2,4-trimethylaniline?
The canonical SMILES for N-[4-[[4-[N-(2,4-dimethylphenyl)-4-(4-methylphenyl)anilino]phenyl]-dimethylsilyl]phenyl]-N,2,4-trimethylaniline is Cc1ccc(-c2ccc(N(c3ccc([Si](C)(C)c4ccc(N(C)c5ccc(C)cc5C)cc4)cc3)c3ccc(C)cc3C)cc2)cc1.
What is the InChIKey of N-[4-[[4-[N-(2,4-dimethylphenyl)-4-(4-methylphenyl)anilino]phenyl]-dimethylsilyl]phenyl]-N,2,4-trimethylaniline?
The InChIKey is UKCHUTKGXPWNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H46N2Si/c1-31-9-13-36(14-10-31)37-15-17-39(18-16-37)46(44-28-12-33(3)30-35(44)5)40-21-25-42(26-22-40)47(7,8)41-23-19-38(20-24-41)45(6)43-27-11-32(2)29-34(43)4/h9-30H,1-8H3.
What are the key properties of N-[4-[[4-[N-(2,4-dimethylphenyl)-4-(4-methylphenyl)anilino]phenyl]-dimethylsilyl]phenyl]-N,2,4-trimethylaniline?
N-[4-[[4-[N-(2,4-dimethylphenyl)-4-(4-methylphenyl)anilino]phenyl]-dimethylsilyl]phenyl]-N,2,4-trimethylaniline has a molecular weight of 630.95 g/mol, XLogP of 10.96, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[N-(2,4-dimethylphenyl)-4-(4-methylphenyl)anilino]phenyl]-dimethylsilyl]phenyl]-N,2,4-trimethylaniline is sourced from PubChem (CID 23593138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).