N,N-bis(4-chlorophenyl)-4-propan-2-ylaniline;N,N-bis(4-chlorophenyl)-4-[2-(4-propan-2-ylphenoxy)ethoxy]aniline;(4-propan-2-ylphenyl) tris(trimethylsilyl) silicate

C68H84Cl4N2O6Si4 — CID 158477245

IUPACN,N-bis(4-chlorophenyl)-4-propan-2-ylaniline;N,N-bis(4-chlorophenyl)-4-[2-(4-propan-2-ylphenoxy)ethoxy]aniline;(4-propan-2-ylphenyl) tris(trimethylsilyl) silicate
SMILESCC(C)c1ccc(N(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1.CC(C)c1ccc(OCCOc2ccc(N(c3ccc(Cl)cc3)c3ccc(Cl)cc3)cc2)cc1.CC(C)c1ccc(O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)cc1
InChIInChI=1S/C29H27Cl2NO2.C21H19Cl2N.C18H38O4Si4/c1-21(2)22-3-15-28(16-4-22)33-19-20-34-29-17-13-27(14-18-29)32(25-9-5-23(30)6-10-25)26-11-7-24(31)8-12-26;1-15(2)16-3-9-19(10-4-16)24(20-11-5-17(22)6-12-20)21-13-7-18(23)8-14-21;1-16(2)17-12-14-18(15-13-17)19-26(20-23(3,4)5,21-24(6,7)8)22-25(9,10)11/h3-18,21H,19-20H2,1-2H3;3-15H,1-2H3;12-16H,1-11H3
InChIKeyHHBXGBIJMCGAKI-UHFFFAOYSA-N
MW1279.58 g/mol
LogP22.81
Rot. Bonds22

About N,N-bis(4-chlorophenyl)-4-propan-2-ylaniline;N,N-bis(4-chlorophenyl)-4-[2-(4-propan-2-ylphenoxy)ethoxy]aniline;(4-propan-2-ylphenyl) tris(trimethylsilyl) silicate

N,N-bis(4-chlorophenyl)-4-propan-2-ylaniline;N,N-bis(4-chlorophenyl)-4-[2-(4-propan-2-ylphenoxy)ethoxy]aniline;(4-propan-2-ylphenyl) tris(trimethylsilyl) silicate (PubChem CID 158477245) has the molecular formula C68H84Cl4N2O6Si4 and a molecular weight of 1279.58 g/mol. Its IUPAC name is N,N-bis(4-chlorophenyl)-4-propan-2-ylaniline;N,N-bis(4-chlorophenyl)-4-[2-(4-propan-2-ylphenoxy)ethoxy]aniline;(4-propan-2-ylphenyl) tris(trimethylsilyl) silicate.

Molecular Properties

Compound NameN,N-bis(4-chlorophenyl)-4-propan-2-ylaniline;N,N-bis(4-chlorophenyl)-4-[2-(4-propan-2-ylphenoxy)ethoxy]aniline;(4-propan-2-ylphenyl) tris(trimethylsilyl) silicate
PubChem CID158477245
Molecular FormulaC68H84Cl4N2O6Si4
Molecular Weight1279.58 g/mol
Exact Mass1276.42
IUPAC NameN,N-bis(4-chlorophenyl)-4-propan-2-ylaniline;N,N-bis(4-chlorophenyl)-4-[2-(4-propan-2-ylphenoxy)ethoxy]aniline;(4-propan-2-ylphenyl) tris(trimethylsilyl) silicate
SMILESCC(C)c1ccc(N(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1.CC(C)c1ccc(OCCOc2ccc(N(c3ccc(Cl)cc3)c3ccc(Cl)cc3)cc2)cc1.CC(C)c1ccc(O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)cc1
InChIInChI=1S/C29H27Cl2NO2.C21H19Cl2N.C18H38O4Si4/c1-21(2)22-3-15-28(16-4-22)33-19-20-34-29-17-13-27(14-18-29)32(25-9-5-23(30)6-10-25)26-11-7-24(31)8-12-26;1-15(2)16-3-9-19(10-4-16)24(20-11-5-17(22)6-12-20)21-13-7-18(23)8-14-21;1-16(2)17-12-14-18(15-13-17)19-26(20-23(3,4)5,21-24(6,7)8)22-25(9,10)11/h3-18,21H,19-20H2,1-2H3;3-15H,1-2H3;12-16H,1-11H3
InChIKeyHHBXGBIJMCGAKI-UHFFFAOYSA-N
XLogP22.81
TPSA61.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001279.58
LogP ≤ 522.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N,N-bis(4-chlorophenyl)-4-propan-2-ylaniline;N,N-bis(4-chlorophenyl)-4-[2-(4-propan-2-ylphenoxy)ethoxy]aniline;(4-propan-2-ylphenyl) tris(trimethylsilyl) silicate with MolForge

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Related Compounds

N,N-bis(4-chlorophenyl)-4-[2-(4-propan-2-ylphenoxy)ethoxy]aniline
CID 90397573
3-[4-[N-(4-chlorophenyl)-4-(3-hydroxypropoxy)anilino]phenoxy]propan-1-ol
CID 59739465
(4-butoxyphenyl)-(4-chlorophenyl)methanamine
CID 105076576
4-[4-(2-bromoethoxy)-N-(4-chlorophenyl)anilino]phenol
CID 138108446
N,N-dimethyl-1-(4-propan-2-ylphenoxy)methanamine
CID 59918748
1-(2-ethylsulfonylethoxy)-4-propan-2-ylbenzene
CID 64764761
3-[2-(4-chlorophenoxy)ethoxy]-N,N-diethylbenzamide
CID 13387018
ethane;1-(3-methoxypropoxy)-4-propan-2-ylbenzene
CID 177171107
N-(4-bromophenyl)-4-butoxy-N-(4-butoxyphenyl)aniline
CID 53438256
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethoxyphenyl)ethanamine
CID 81356975
2-[4-(4-chlorophenoxy)phenoxy]-N,N-diethylethanamine
CID 21318117
[(4-butoxyphenyl)-(4-chlorophenyl)methyl]hydrazine
CID 105281210

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-chlorophenyl)-4-propan-2-ylaniline;N,N-bis(4-chlorophenyl)-4-[2-(4-propan-2-ylphenoxy)ethoxy]aniline;(4-propan-2-ylphenyl) tris(trimethylsilyl) silicate?
The IUPAC name of N,N-bis(4-chlorophenyl)-4-propan-2-ylaniline;N,N-bis(4-chlorophenyl)-4-[2-(4-propan-2-ylphenoxy)ethoxy]aniline;(4-propan-2-ylphenyl) tris(trimethylsilyl) silicate (CID 158477245) is N,N-bis(4-chlorophenyl)-4-propan-2-ylaniline;N,N-bis(4-chlorophenyl)-4-[2-(4-propan-2-ylphenoxy)ethoxy]aniline;(4-propan-2-ylphenyl) tris(trimethylsilyl) silicate.
What is the SMILES notation for N,N-bis(4-chlorophenyl)-4-propan-2-ylaniline;N,N-bis(4-chlorophenyl)-4-[2-(4-propan-2-ylphenoxy)ethoxy]aniline;(4-propan-2-ylphenyl) tris(trimethylsilyl) silicate?
The canonical SMILES for N,N-bis(4-chlorophenyl)-4-propan-2-ylaniline;N,N-bis(4-chlorophenyl)-4-[2-(4-propan-2-ylphenoxy)ethoxy]aniline;(4-propan-2-ylphenyl) tris(trimethylsilyl) silicate is CC(C)c1ccc(N(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1.CC(C)c1ccc(OCCOc2ccc(N(c3ccc(Cl)cc3)c3ccc(Cl)cc3)cc2)cc1.CC(C)c1ccc(O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)cc1.
What is the InChIKey of N,N-bis(4-chlorophenyl)-4-propan-2-ylaniline;N,N-bis(4-chlorophenyl)-4-[2-(4-propan-2-ylphenoxy)ethoxy]aniline;(4-propan-2-ylphenyl) tris(trimethylsilyl) silicate?
The InChIKey is HHBXGBIJMCGAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27Cl2NO2.C21H19Cl2N.C18H38O4Si4/c1-21(2)22-3-15-28(16-4-22)33-19-20-34-29-17-13-27(14-18-29)32(25-9-5-23(30)6-10-25)26-11-7-24(31)8-12-26;1-15(2)16-3-9-19(10-4-16)24(20-11-5-17(22)6-12-20)21-13-7-18(23)8-14-21;1-16(2)17-12-14-18(15-13-17)19-26(20-23(3,4)5,21-24(6,7)8)22-25(9,10)11/h3-18,21H,19-20H2,1-2H3;3-15H,1-2H3;12-16H,1-11H3.
What are the key properties of N,N-bis(4-chlorophenyl)-4-propan-2-ylaniline;N,N-bis(4-chlorophenyl)-4-[2-(4-propan-2-ylphenoxy)ethoxy]aniline;(4-propan-2-ylphenyl) tris(trimethylsilyl) silicate?
N,N-bis(4-chlorophenyl)-4-propan-2-ylaniline;N,N-bis(4-chlorophenyl)-4-[2-(4-propan-2-ylphenoxy)ethoxy]aniline;(4-propan-2-ylphenyl) tris(trimethylsilyl) silicate has a molecular weight of 1279.58 g/mol, XLogP of 22.81, 22 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-chlorophenyl)-4-propan-2-ylaniline;N,N-bis(4-chlorophenyl)-4-[2-(4-propan-2-ylphenoxy)ethoxy]aniline;(4-propan-2-ylphenyl) tris(trimethylsilyl) silicate is sourced from PubChem (CID 158477245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).