4-benzyl-N-[4-[2-[4-[2-[4-(N-(4-benzylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline

C60H48N2 — CID 59922719

IUPAC4-benzyl-N-[4-[2-[4-[2-[4-(N-(4-benzylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
SMILESC(=Cc1ccc(N(c2ccccc2)c2ccc(Cc3ccccc3)cc2)cc1)c1ccc(C=Cc2ccc(N(c3ccccc3)c3ccc(Cc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C60H48N2/c1-5-13-51(14-6-1)45-53-33-41-59(42-34-53)61(55-17-9-3-10-18-55)57-37-29-49(30-38-57)27-25-47-21-23-48(24-22-47)26-28-50-31-39-58(40-32-50)62(56-19-11-4-12-20-56)60-43-35-54(36-44-60)46-52-15-7-2-8-16-52/h1-44H,45-46H2
InChIKeyBCHINKHDUHVIIR-UHFFFAOYSA-N
MW797.06 g/mol
LogP16.15
Rot. Bonds14

About 4-benzyl-N-[4-[2-[4-[2-[4-(N-(4-benzylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline

4-benzyl-N-[4-[2-[4-[2-[4-(N-(4-benzylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline (PubChem CID 59922719) has the molecular formula C60H48N2 and a molecular weight of 797.06 g/mol. Its IUPAC name is 4-benzyl-N-[4-[2-[4-[2-[4-(N-(4-benzylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline.

Molecular Properties

Compound Name4-benzyl-N-[4-[2-[4-[2-[4-(N-(4-benzylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
PubChem CID59922719
Molecular FormulaC60H48N2
Molecular Weight797.06 g/mol
Exact Mass796.38
IUPAC Name4-benzyl-N-[4-[2-[4-[2-[4-(N-(4-benzylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
SMILESC(=Cc1ccc(N(c2ccccc2)c2ccc(Cc3ccccc3)cc2)cc1)c1ccc(C=Cc2ccc(N(c3ccccc3)c3ccc(Cc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C60H48N2/c1-5-13-51(14-6-1)45-53-33-41-59(42-34-53)61(55-17-9-3-10-18-55)57-37-29-49(30-38-57)27-25-47-21-23-48(24-22-47)26-28-50-31-39-58(40-32-50)62(56-19-11-4-12-20-56)60-43-35-54(36-44-60)46-52-15-7-2-8-16-52/h1-44H,45-46H2
InChIKeyBCHINKHDUHVIIR-UHFFFAOYSA-N
XLogP16.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.06
LogP ≤ 516.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[4-[2-[4-[2-[4-(N-(4-benzylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline?
The IUPAC name of 4-benzyl-N-[4-[2-[4-[2-[4-(N-(4-benzylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline (CID 59922719) is 4-benzyl-N-[4-[2-[4-[2-[4-(N-(4-benzylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline.
What is the SMILES notation for 4-benzyl-N-[4-[2-[4-[2-[4-(N-(4-benzylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline?
The canonical SMILES for 4-benzyl-N-[4-[2-[4-[2-[4-(N-(4-benzylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline is C(=Cc1ccc(N(c2ccccc2)c2ccc(Cc3ccccc3)cc2)cc1)c1ccc(C=Cc2ccc(N(c3ccccc3)c3ccc(Cc4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 4-benzyl-N-[4-[2-[4-[2-[4-(N-(4-benzylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline?
The InChIKey is BCHINKHDUHVIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H48N2/c1-5-13-51(14-6-1)45-53-33-41-59(42-34-53)61(55-17-9-3-10-18-55)57-37-29-49(30-38-57)27-25-47-21-23-48(24-22-47)26-28-50-31-39-58(40-32-50)62(56-19-11-4-12-20-56)60-43-35-54(36-44-60)46-52-15-7-2-8-16-52/h1-44H,45-46H2.
What are the key properties of 4-benzyl-N-[4-[2-[4-[2-[4-(N-(4-benzylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline?
4-benzyl-N-[4-[2-[4-[2-[4-(N-(4-benzylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline has a molecular weight of 797.06 g/mol, XLogP of 16.15, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[4-[2-[4-[2-[4-(N-(4-benzylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline is sourced from PubChem (CID 59922719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).