4-[(Z)-1,2-bis[4-[tert-butyl-[tert-butyl(dimethyl)silyl]oxyamino]phenyl]-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline

C74H92N4O6Si2 — CID 101204685

IUPAC4-[(Z)-1,2-bis[4-[tert-butyl-[tert-butyl(dimethyl)silyl]oxyamino]phenyl]-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc(/C(=C(\c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)c3ccc(N(O[Si](C)(C)C(C)(C)C)C(C)(C)C)cc3)c3ccc(N(O[Si](C)(C)C(C)(C)C)C(C)(C)C)cc3)cc2)cc1
InChIInChI=1S/C74H92N4O6Si2/c1-71(2,3)77(83-85(17,18)73(7,8)9)63-33-25-55(26-34-63)69(53-21-29-57(30-22-53)75(59-37-45-65(79-13)46-38-59)60-39-47-66(80-14)48-40-60)70(56-27-35-64(36-28-56)78(72(4,5)6)84-86(19,20)74(10,11)12)54-23-31-58(32-24-54)76(61-41-49-67(81-15)50-42-61)62-43-51-68(82-16)52-44-62/h21-52H,1-20H3/b70-69-
InChIKeyVZIZNKJWMKRWOA-YXNKGKNDSA-N
MW1189.74 g/mol
LogP20.75
Rot. Bonds20

About 4-[(Z)-1,2-bis[4-[tert-butyl-[tert-butyl(dimethyl)silyl]oxyamino]phenyl]-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline

4-[(Z)-1,2-bis[4-[tert-butyl-[tert-butyl(dimethyl)silyl]oxyamino]phenyl]-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline (PubChem CID 101204685) has the molecular formula C74H92N4O6Si2 and a molecular weight of 1189.74 g/mol. Its IUPAC name is 4-[(Z)-1,2-bis[4-[tert-butyl-[tert-butyl(dimethyl)silyl]oxyamino]phenyl]-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline.

Molecular Properties

Compound Name4-[(Z)-1,2-bis[4-[tert-butyl-[tert-butyl(dimethyl)silyl]oxyamino]phenyl]-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline
PubChem CID101204685
Molecular FormulaC74H92N4O6Si2
Molecular Weight1189.74 g/mol
Exact Mass1188.66
IUPAC Name4-[(Z)-1,2-bis[4-[tert-butyl-[tert-butyl(dimethyl)silyl]oxyamino]phenyl]-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc(/C(=C(\c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)c3ccc(N(O[Si](C)(C)C(C)(C)C)C(C)(C)C)cc3)c3ccc(N(O[Si](C)(C)C(C)(C)C)C(C)(C)C)cc3)cc2)cc1
InChIInChI=1S/C74H92N4O6Si2/c1-71(2,3)77(83-85(17,18)73(7,8)9)63-33-25-55(26-34-63)69(53-21-29-57(30-22-53)75(59-37-45-65(79-13)46-38-59)60-39-47-66(80-14)48-40-60)70(56-27-35-64(36-28-56)78(72(4,5)6)84-86(19,20)74(10,11)12)54-23-31-58(32-24-54)76(61-41-49-67(81-15)50-42-61)62-43-51-68(82-16)52-44-62/h21-52H,1-20H3/b70-69-
InChIKeyVZIZNKJWMKRWOA-YXNKGKNDSA-N
XLogP20.75
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001189.74
LogP ≤ 520.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1,2-bis[4-[tert-butyl-[tert-butyl(dimethyl)silyl]oxyamino]phenyl]-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline?
The IUPAC name of 4-[(Z)-1,2-bis[4-[tert-butyl-[tert-butyl(dimethyl)silyl]oxyamino]phenyl]-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline (CID 101204685) is 4-[(Z)-1,2-bis[4-[tert-butyl-[tert-butyl(dimethyl)silyl]oxyamino]phenyl]-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline.
What is the SMILES notation for 4-[(Z)-1,2-bis[4-[tert-butyl-[tert-butyl(dimethyl)silyl]oxyamino]phenyl]-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline?
The canonical SMILES for 4-[(Z)-1,2-bis[4-[tert-butyl-[tert-butyl(dimethyl)silyl]oxyamino]phenyl]-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline is COc1ccc(N(c2ccc(OC)cc2)c2ccc(/C(=C(\c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)c3ccc(N(O[Si](C)(C)C(C)(C)C)C(C)(C)C)cc3)c3ccc(N(O[Si](C)(C)C(C)(C)C)C(C)(C)C)cc3)cc2)cc1.
What is the InChIKey of 4-[(Z)-1,2-bis[4-[tert-butyl-[tert-butyl(dimethyl)silyl]oxyamino]phenyl]-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline?
The InChIKey is VZIZNKJWMKRWOA-YXNKGKNDSA-N. The full InChI is InChI=1S/C74H92N4O6Si2/c1-71(2,3)77(83-85(17,18)73(7,8)9)63-33-25-55(26-34-63)69(53-21-29-57(30-22-53)75(59-37-45-65(79-13)46-38-59)60-39-47-66(80-14)48-40-60)70(56-27-35-64(36-28-56)78(72(4,5)6)84-86(19,20)74(10,11)12)54-23-31-58(32-24-54)76(61-41-49-67(81-15)50-42-61)62-43-51-68(82-16)52-44-62/h21-52H,1-20H3/b70-69-.
What are the key properties of 4-[(Z)-1,2-bis[4-[tert-butyl-[tert-butyl(dimethyl)silyl]oxyamino]phenyl]-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline?
4-[(Z)-1,2-bis[4-[tert-butyl-[tert-butyl(dimethyl)silyl]oxyamino]phenyl]-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline has a molecular weight of 1189.74 g/mol, XLogP of 20.75, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1,2-bis[4-[tert-butyl-[tert-butyl(dimethyl)silyl]oxyamino]phenyl]-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline is sourced from PubChem (CID 101204685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).