3-[4-[N-[4-[tert-butyl(dimethyl)silyl]phenyl]-4-[4-[N-[4-[tert-butyl(dimethyl)silyl]phenyl]-4-(3-prop-2-enoyloxypropoxy)anilino]phenyl]anilino]phenoxy]propyl prop-2-enoate

C60H72N2O6Si2 — CID 160879601

IUPAC3-[4-[N-[4-[tert-butyl(dimethyl)silyl]phenyl]-4-[4-[N-[4-[tert-butyl(dimethyl)silyl]phenyl]-4-(3-prop-2-enoyloxypropoxy)anilino]phenyl]anilino]phenoxy]propyl prop-2-enoate
SMILESC=CC(=O)OCCCOc1ccc(N(c2ccc(-c3ccc(N(c4ccc(OCCCOC(=O)C=C)cc4)c4ccc([Si](C)(C)C(C)(C)C)cc4)cc3)cc2)c2ccc([Si](C)(C)C(C)(C)C)cc2)cc1
InChIInChI=1S/C60H72N2O6Si2/c1-13-57(63)67-43-15-41-65-53-33-25-49(26-34-53)61(51-29-37-55(38-30-51)69(9,10)59(3,4)5)47-21-17-45(18-22-47)46-19-23-48(24-20-46)62(52-31-39-56(40-32-52)70(11,12)60(6,7)8)50-27-35-54(36-28-50)66-42-16-44-68-58(64)14-2/h13-14,17-40H,1-2,15-16,41-44H2,3-12H3
InChIKeyNAVXVYMSSITRQG-UHFFFAOYSA-N
MW973.42 g/mol
LogP14.72
Rot. Bonds21

About 3-[4-[N-[4-[tert-butyl(dimethyl)silyl]phenyl]-4-[4-[N-[4-[tert-butyl(dimethyl)silyl]phenyl]-4-(3-prop-2-enoyloxypropoxy)anilino]phenyl]anilino]phenoxy]propyl prop-2-enoate

3-[4-[N-[4-[tert-butyl(dimethyl)silyl]phenyl]-4-[4-[N-[4-[tert-butyl(dimethyl)silyl]phenyl]-4-(3-prop-2-enoyloxypropoxy)anilino]phenyl]anilino]phenoxy]propyl prop-2-enoate (PubChem CID 160879601) has the molecular formula C60H72N2O6Si2 and a molecular weight of 973.42 g/mol. Its IUPAC name is 3-[4-[N-[4-[tert-butyl(dimethyl)silyl]phenyl]-4-[4-[N-[4-[tert-butyl(dimethyl)silyl]phenyl]-4-(3-prop-2-enoyloxypropoxy)anilino]phenyl]anilino]phenoxy]propyl prop-2-enoate.

Molecular Properties

Compound Name3-[4-[N-[4-[tert-butyl(dimethyl)silyl]phenyl]-4-[4-[N-[4-[tert-butyl(dimethyl)silyl]phenyl]-4-(3-prop-2-enoyloxypropoxy)anilino]phenyl]anilino]phenoxy]propyl prop-2-enoate
PubChem CID160879601
Molecular FormulaC60H72N2O6Si2
Molecular Weight973.42 g/mol
Exact Mass972.49
IUPAC Name3-[4-[N-[4-[tert-butyl(dimethyl)silyl]phenyl]-4-[4-[N-[4-[tert-butyl(dimethyl)silyl]phenyl]-4-(3-prop-2-enoyloxypropoxy)anilino]phenyl]anilino]phenoxy]propyl prop-2-enoate
SMILESC=CC(=O)OCCCOc1ccc(N(c2ccc(-c3ccc(N(c4ccc(OCCCOC(=O)C=C)cc4)c4ccc([Si](C)(C)C(C)(C)C)cc4)cc3)cc2)c2ccc([Si](C)(C)C(C)(C)C)cc2)cc1
InChIInChI=1S/C60H72N2O6Si2/c1-13-57(63)67-43-15-41-65-53-33-25-49(26-34-53)61(51-29-37-55(38-30-51)69(9,10)59(3,4)5)47-21-17-45(18-22-47)46-19-23-48(24-20-46)62(52-31-39-56(40-32-52)70(11,12)60(6,7)8)50-27-35-54(36-28-50)66-42-16-44-68-58(64)14-2/h13-14,17-40H,1-2,15-16,41-44H2,3-12H3
InChIKeyNAVXVYMSSITRQG-UHFFFAOYSA-N
XLogP14.72
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500973.42
LogP ≤ 514.72
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[4-[N-[4-[tert-butyl(dimethyl)silyl]phenyl]-4-[4-[N-[4-[tert-butyl(dimethyl)silyl]phenyl]-4-(3-prop-2-enoyloxypropoxy)anilino]phenyl]anilino]phenoxy]propyl prop-2-enoate with MolForge

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Related Compounds

3-[4-[4-[4-(3-prop-2-enoyloxypropoxy)phenyl]phenyl]phenoxy]propyl prop-2-enoate
CID 158971258
3-[4-[N-[4-methyl-3-[4-(4-phenylphenyl)phenyl]phenyl]-4-(3-prop-2-enoyloxypropoxy)anilino]phenoxy]propyl prop-2-enoate
CID 135253996
3-[4-(4-hydroxyphenyl)phenoxy]propyl prop-2-enoate
CID 144554090
3-[4-(4-phenanthren-9-yl-N-[4-(3-prop-2-enoyloxypropoxy)phenyl]anilino)phenoxy]propyl prop-2-enoate
CID 135254020
11-[4-[4-[4-[11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecoxy]phenyl]phenyl]phenoxy]undecyl prop-2-enoate
CID 20734011
3-[3-[4-[2-[4-[3-(3-prop-2-enoyloxypropoxy)propoxy]phenyl]propan-2-yl]phenoxy]propoxy]propyl prop-2-enoate
CID 57128581
6-[4-(4-acetylphenyl)phenoxy]hexyl prop-2-enoate
CID 20588637
2-[4-(4-methyl-N-[2-methyl-4-[3-methyl-4-(4-methyl-N-[4-(2-prop-2-enoyloxyethoxy)phenyl]anilino)phenyl]phenyl]anilino)phenoxy]ethyl prop-2-enoate;3-[4-(4-methyl-N-[4-[4-(4-methyl-N-[4-(3-prop-2-enoyloxypropyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]propyl prop-2-enoate
CID 161287595
[4-[4-(2-prop-2-enoyloxyethoxy)phenyl]phenyl]boronic acid
CID 162702389
[4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoate
CID 118547337
methyl 4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoate
CID 58785395
2-[4-(4-methoxyphenyl)phenoxy]ethyl prop-2-enoate
CID 59181081

Frequently Asked Questions

What is the IUPAC name of 3-[4-[N-[4-[tert-butyl(dimethyl)silyl]phenyl]-4-[4-[N-[4-[tert-butyl(dimethyl)silyl]phenyl]-4-(3-prop-2-enoyloxypropoxy)anilino]phenyl]anilino]phenoxy]propyl prop-2-enoate?
The IUPAC name of 3-[4-[N-[4-[tert-butyl(dimethyl)silyl]phenyl]-4-[4-[N-[4-[tert-butyl(dimethyl)silyl]phenyl]-4-(3-prop-2-enoyloxypropoxy)anilino]phenyl]anilino]phenoxy]propyl prop-2-enoate (CID 160879601) is 3-[4-[N-[4-[tert-butyl(dimethyl)silyl]phenyl]-4-[4-[N-[4-[tert-butyl(dimethyl)silyl]phenyl]-4-(3-prop-2-enoyloxypropoxy)anilino]phenyl]anilino]phenoxy]propyl prop-2-enoate.
What is the SMILES notation for 3-[4-[N-[4-[tert-butyl(dimethyl)silyl]phenyl]-4-[4-[N-[4-[tert-butyl(dimethyl)silyl]phenyl]-4-(3-prop-2-enoyloxypropoxy)anilino]phenyl]anilino]phenoxy]propyl prop-2-enoate?
The canonical SMILES for 3-[4-[N-[4-[tert-butyl(dimethyl)silyl]phenyl]-4-[4-[N-[4-[tert-butyl(dimethyl)silyl]phenyl]-4-(3-prop-2-enoyloxypropoxy)anilino]phenyl]anilino]phenoxy]propyl prop-2-enoate is C=CC(=O)OCCCOc1ccc(N(c2ccc(-c3ccc(N(c4ccc(OCCCOC(=O)C=C)cc4)c4ccc([Si](C)(C)C(C)(C)C)cc4)cc3)cc2)c2ccc([Si](C)(C)C(C)(C)C)cc2)cc1.
What is the InChIKey of 3-[4-[N-[4-[tert-butyl(dimethyl)silyl]phenyl]-4-[4-[N-[4-[tert-butyl(dimethyl)silyl]phenyl]-4-(3-prop-2-enoyloxypropoxy)anilino]phenyl]anilino]phenoxy]propyl prop-2-enoate?
The InChIKey is NAVXVYMSSITRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H72N2O6Si2/c1-13-57(63)67-43-15-41-65-53-33-25-49(26-34-53)61(51-29-37-55(38-30-51)69(9,10)59(3,4)5)47-21-17-45(18-22-47)46-19-23-48(24-20-46)62(52-31-39-56(40-32-52)70(11,12)60(6,7)8)50-27-35-54(36-28-50)66-42-16-44-68-58(64)14-2/h13-14,17-40H,1-2,15-16,41-44H2,3-12H3.
What are the key properties of 3-[4-[N-[4-[tert-butyl(dimethyl)silyl]phenyl]-4-[4-[N-[4-[tert-butyl(dimethyl)silyl]phenyl]-4-(3-prop-2-enoyloxypropoxy)anilino]phenyl]anilino]phenoxy]propyl prop-2-enoate?
3-[4-[N-[4-[tert-butyl(dimethyl)silyl]phenyl]-4-[4-[N-[4-[tert-butyl(dimethyl)silyl]phenyl]-4-(3-prop-2-enoyloxypropoxy)anilino]phenyl]anilino]phenoxy]propyl prop-2-enoate has a molecular weight of 973.42 g/mol, XLogP of 14.72, 21 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[N-[4-[tert-butyl(dimethyl)silyl]phenyl]-4-[4-[N-[4-[tert-butyl(dimethyl)silyl]phenyl]-4-(3-prop-2-enoyloxypropoxy)anilino]phenyl]anilino]phenoxy]propyl prop-2-enoate is sourced from PubChem (CID 160879601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).