N-[3-[bis[3-[bis(2,2,2-trifluoroacetyl)amino]propyl]-[4-[tris[3-[bis(2,2,2-trifluoroacetyl)amino]propyl]silyl]phenyl]silyl]propyl]-2,2,2-trifluoroacetamide

C46H41F33N6O11Si2 — CID 170703048

IUPACN-[3-[bis[3-[bis(2,2,2-trifluoroacetyl)amino]propyl]-[4-[tris[3-[bis(2,2,2-trifluoroacetyl)amino]propyl]silyl]phenyl]silyl]propyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCCC[Si](CCCN(C(=O)C(F)(F)F)C(=O)C(F)(F)F)(CCCN(C(=O)C(F)(F)F)C(=O)C(F)(F)F)c1ccc([Si](CCCN(C(=O)C(F)(F)F)C(=O)C(F)(F)F)(CCCN(C(=O)C(F)(F)F)C(=O)C(F)(F)F)CCCN(C(=O)C(F)(F)F)C(=O)C(F)(F)F)cc1)C(F)(F)F
InChIInChI=1S/C46H41F33N6O11Si2/c47-36(48,49)25(86)80-11-1-17-97(18-2-12-81(26(87)37(50,51)52)27(88)38(53,54)55,19-3-13-82(28(89)39(56,57)58)29(90)40(59,60)61)23-7-9-24(10-8-23)98(20-4-14-83(30(91)41(62,63)64)31(92)42(65,66)67,21-5-15-84(32(93)43(68,69)70)33(94)44(71,72)73)22-6-16-85(34(95)45(74,75)76)35(96)46(77,78)79/h7-10H,1-6,11-22H2,(H,80,86)
InChIKeyGUNUIEZYJKDVJL-UHFFFAOYSA-N
MW1536.97 g/mol
LogP9.42
Rot. Bonds26

About N-[3-[bis[3-[bis(2,2,2-trifluoroacetyl)amino]propyl]-[4-[tris[3-[bis(2,2,2-trifluoroacetyl)amino]propyl]silyl]phenyl]silyl]propyl]-2,2,2-trifluoroacetamide

N-[3-[bis[3-[bis(2,2,2-trifluoroacetyl)amino]propyl]-[4-[tris[3-[bis(2,2,2-trifluoroacetyl)amino]propyl]silyl]phenyl]silyl]propyl]-2,2,2-trifluoroacetamide (PubChem CID 170703048) has the molecular formula C46H41F33N6O11Si2 and a molecular weight of 1536.97 g/mol. Its IUPAC name is N-[3-[bis[3-[bis(2,2,2-trifluoroacetyl)amino]propyl]-[4-[tris[3-[bis(2,2,2-trifluoroacetyl)amino]propyl]silyl]phenyl]silyl]propyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-[bis[3-[bis(2,2,2-trifluoroacetyl)amino]propyl]-[4-[tris[3-[bis(2,2,2-trifluoroacetyl)amino]propyl]silyl]phenyl]silyl]propyl]-2,2,2-trifluoroacetamide
PubChem CID170703048
Molecular FormulaC46H41F33N6O11Si2
Molecular Weight1536.97 g/mol
Exact Mass1536.18
IUPAC NameN-[3-[bis[3-[bis(2,2,2-trifluoroacetyl)amino]propyl]-[4-[tris[3-[bis(2,2,2-trifluoroacetyl)amino]propyl]silyl]phenyl]silyl]propyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCCC[Si](CCCN(C(=O)C(F)(F)F)C(=O)C(F)(F)F)(CCCN(C(=O)C(F)(F)F)C(=O)C(F)(F)F)c1ccc([Si](CCCN(C(=O)C(F)(F)F)C(=O)C(F)(F)F)(CCCN(C(=O)C(F)(F)F)C(=O)C(F)(F)F)CCCN(C(=O)C(F)(F)F)C(=O)C(F)(F)F)cc1)C(F)(F)F
InChIInChI=1S/C46H41F33N6O11Si2/c47-36(48,49)25(86)80-11-1-17-97(18-2-12-81(26(87)37(50,51)52)27(88)38(53,54)55,19-3-13-82(28(89)39(56,57)58)29(90)40(59,60)61)23-7-9-24(10-8-23)98(20-4-14-83(30(91)41(62,63)64)31(92)42(65,66)67,21-5-15-84(32(93)43(68,69)70)33(94)44(71,72)73)22-6-16-85(34(95)45(74,75)76)35(96)46(77,78)79/h7-10H,1-6,11-22H2,(H,80,86)
InChIKeyGUNUIEZYJKDVJL-UHFFFAOYSA-N
XLogP9.42
TPSA216.00 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds26
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001536.97
LogP ≤ 59.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[bis[3-[bis(2,2,2-trifluoroacetyl)amino]propyl]-[4-[tris[3-[bis(2,2,2-trifluoroacetyl)amino]propyl]silyl]phenyl]silyl]propyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-[bis[3-[bis(2,2,2-trifluoroacetyl)amino]propyl]-[4-[tris[3-[bis(2,2,2-trifluoroacetyl)amino]propyl]silyl]phenyl]silyl]propyl]-2,2,2-trifluoroacetamide (CID 170703048) is N-[3-[bis[3-[bis(2,2,2-trifluoroacetyl)amino]propyl]-[4-[tris[3-[bis(2,2,2-trifluoroacetyl)amino]propyl]silyl]phenyl]silyl]propyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-[bis[3-[bis(2,2,2-trifluoroacetyl)amino]propyl]-[4-[tris[3-[bis(2,2,2-trifluoroacetyl)amino]propyl]silyl]phenyl]silyl]propyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-[bis[3-[bis(2,2,2-trifluoroacetyl)amino]propyl]-[4-[tris[3-[bis(2,2,2-trifluoroacetyl)amino]propyl]silyl]phenyl]silyl]propyl]-2,2,2-trifluoroacetamide is O=C(NCCC[Si](CCCN(C(=O)C(F)(F)F)C(=O)C(F)(F)F)(CCCN(C(=O)C(F)(F)F)C(=O)C(F)(F)F)c1ccc([Si](CCCN(C(=O)C(F)(F)F)C(=O)C(F)(F)F)(CCCN(C(=O)C(F)(F)F)C(=O)C(F)(F)F)CCCN(C(=O)C(F)(F)F)C(=O)C(F)(F)F)cc1)C(F)(F)F.
What is the InChIKey of N-[3-[bis[3-[bis(2,2,2-trifluoroacetyl)amino]propyl]-[4-[tris[3-[bis(2,2,2-trifluoroacetyl)amino]propyl]silyl]phenyl]silyl]propyl]-2,2,2-trifluoroacetamide?
The InChIKey is GUNUIEZYJKDVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H41F33N6O11Si2/c47-36(48,49)25(86)80-11-1-17-97(18-2-12-81(26(87)37(50,51)52)27(88)38(53,54)55,19-3-13-82(28(89)39(56,57)58)29(90)40(59,60)61)23-7-9-24(10-8-23)98(20-4-14-83(30(91)41(62,63)64)31(92)42(65,66)67,21-5-15-84(32(93)43(68,69)70)33(94)44(71,72)73)22-6-16-85(34(95)45(74,75)76)35(96)46(77,78)79/h7-10H,1-6,11-22H2,(H,80,86).
What are the key properties of N-[3-[bis[3-[bis(2,2,2-trifluoroacetyl)amino]propyl]-[4-[tris[3-[bis(2,2,2-trifluoroacetyl)amino]propyl]silyl]phenyl]silyl]propyl]-2,2,2-trifluoroacetamide?
N-[3-[bis[3-[bis(2,2,2-trifluoroacetyl)amino]propyl]-[4-[tris[3-[bis(2,2,2-trifluoroacetyl)amino]propyl]silyl]phenyl]silyl]propyl]-2,2,2-trifluoroacetamide has a molecular weight of 1536.97 g/mol, XLogP of 9.42, 26 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[bis[3-[bis(2,2,2-trifluoroacetyl)amino]propyl]-[4-[tris[3-[bis(2,2,2-trifluoroacetyl)amino]propyl]silyl]phenyl]silyl]propyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 170703048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).