4-[(E)-2-[2-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-bis(4-tert-butylphenyl)aniline

C66H70N4 — CID 135225812

IUPAC4-[(E)-2-[2-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-bis(4-tert-butylphenyl)aniline
SMILESCC(C)(C)c1ccc(N(c2ccc(/C=C/c3ccnc(-c4cc(/C=C/c5ccc(N(c6ccc(C(C)(C)C)cc6)c6ccc(C(C)(C)C)cc6)cc5)ccn4)c3)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C66H70N4/c1-63(2,3)51-21-33-57(34-22-51)69(58-35-23-52(24-36-58)64(4,5)6)55-29-17-47(18-30-55)13-15-49-41-43-67-61(45-49)62-46-50(42-44-68-62)16-14-48-19-31-56(32-20-48)70(59-37-25-53(26-38-59)65(7,8)9)60-39-27-54(28-40-60)66(10,11)12/h13-46H,1-12H3/b15-13+,16-14+
InChIKeyAFIVXIWCDOKHQS-WXUKJITCSA-N
MW919.31 g/mol
LogP18.61
Rot. Bonds11

About 4-[(E)-2-[2-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-bis(4-tert-butylphenyl)aniline

4-[(E)-2-[2-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-bis(4-tert-butylphenyl)aniline (PubChem CID 135225812) has the molecular formula C66H70N4 and a molecular weight of 919.31 g/mol. Its IUPAC name is 4-[(E)-2-[2-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-bis(4-tert-butylphenyl)aniline.

Molecular Properties

Compound Name4-[(E)-2-[2-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-bis(4-tert-butylphenyl)aniline
PubChem CID135225812
Molecular FormulaC66H70N4
Molecular Weight919.31 g/mol
Exact Mass918.56
IUPAC Name4-[(E)-2-[2-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-bis(4-tert-butylphenyl)aniline
SMILESCC(C)(C)c1ccc(N(c2ccc(/C=C/c3ccnc(-c4cc(/C=C/c5ccc(N(c6ccc(C(C)(C)C)cc6)c6ccc(C(C)(C)C)cc6)cc5)ccn4)c3)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C66H70N4/c1-63(2,3)51-21-33-57(34-22-51)69(58-35-23-52(24-36-58)64(4,5)6)55-29-17-47(18-30-55)13-15-49-41-43-67-61(45-49)62-46-50(42-44-68-62)16-14-48-19-31-56(32-20-48)70(59-37-25-53(26-38-59)65(7,8)9)60-39-27-54(28-40-60)66(10,11)12/h13-46H,1-12H3/b15-13+,16-14+
InChIKeyAFIVXIWCDOKHQS-WXUKJITCSA-N
XLogP18.61
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.31
LogP ≤ 518.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[2-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-bis(4-tert-butylphenyl)aniline?
The IUPAC name of 4-[(E)-2-[2-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-bis(4-tert-butylphenyl)aniline (CID 135225812) is 4-[(E)-2-[2-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-bis(4-tert-butylphenyl)aniline.
What is the SMILES notation for 4-[(E)-2-[2-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-bis(4-tert-butylphenyl)aniline?
The canonical SMILES for 4-[(E)-2-[2-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-bis(4-tert-butylphenyl)aniline is CC(C)(C)c1ccc(N(c2ccc(/C=C/c3ccnc(-c4cc(/C=C/c5ccc(N(c6ccc(C(C)(C)C)cc6)c6ccc(C(C)(C)C)cc6)cc5)ccn4)c3)cc2)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-[(E)-2-[2-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-bis(4-tert-butylphenyl)aniline?
The InChIKey is AFIVXIWCDOKHQS-WXUKJITCSA-N. The full InChI is InChI=1S/C66H70N4/c1-63(2,3)51-21-33-57(34-22-51)69(58-35-23-52(24-36-58)64(4,5)6)55-29-17-47(18-30-55)13-15-49-41-43-67-61(45-49)62-46-50(42-44-68-62)16-14-48-19-31-56(32-20-48)70(59-37-25-53(26-38-59)65(7,8)9)60-39-27-54(28-40-60)66(10,11)12/h13-46H,1-12H3/b15-13+,16-14+.
What are the key properties of 4-[(E)-2-[2-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-bis(4-tert-butylphenyl)aniline?
4-[(E)-2-[2-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-bis(4-tert-butylphenyl)aniline has a molecular weight of 919.31 g/mol, XLogP of 18.61, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[2-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-bis(4-tert-butylphenyl)aniline is sourced from PubChem (CID 135225812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).