4-[(E)-2-(4-fluorophenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]aniline

C42H30F3N — CID 59838893

IUPAC4-[(E)-2-(4-fluorophenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]aniline
SMILESFc1ccc(/C=C/c2ccc(N(c3ccc(/C=C/c4ccc(F)cc4)cc3)c3ccc(/C=C/c4ccc(F)cc4)cc3)cc2)cc1
InChIInChI=1S/C42H30F3N/c43-37-19-7-31(8-20-37)1-4-34-13-25-40(26-14-34)46(41-27-15-35(16-28-41)5-2-32-9-21-38(44)22-10-32)42-29-17-36(18-30-42)6-3-33-11-23-39(45)24-12-33/h1-30H/b4-1+,5-2+,6-3+
InChIKeySLPTWLBVCNHGAD-GZDDRBCLSA-N
MW605.70 g/mol
LogP12.08
Rot. Bonds9

About 4-[(E)-2-(4-fluorophenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]aniline

4-[(E)-2-(4-fluorophenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]aniline (PubChem CID 59838893) has the molecular formula C42H30F3N and a molecular weight of 605.70 g/mol. Its IUPAC name is 4-[(E)-2-(4-fluorophenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]aniline.

Molecular Properties

Compound Name4-[(E)-2-(4-fluorophenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]aniline
PubChem CID59838893
Molecular FormulaC42H30F3N
Molecular Weight605.70 g/mol
Exact Mass605.23
IUPAC Name4-[(E)-2-(4-fluorophenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]aniline
SMILESFc1ccc(/C=C/c2ccc(N(c3ccc(/C=C/c4ccc(F)cc4)cc3)c3ccc(/C=C/c4ccc(F)cc4)cc3)cc2)cc1
InChIInChI=1S/C42H30F3N/c43-37-19-7-31(8-20-37)1-4-34-13-25-40(26-14-34)46(41-27-15-35(16-28-41)5-2-32-9-21-38(44)22-10-32)42-29-17-36(18-30-42)6-3-33-11-23-39(45)24-12-33/h1-30H/b4-1+,5-2+,6-3+
InChIKeySLPTWLBVCNHGAD-GZDDRBCLSA-N
XLogP12.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.70
LogP ≤ 512.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[(E)-2-(4-fluorophenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]aniline?
The IUPAC name of 4-[(E)-2-(4-fluorophenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]aniline (CID 59838893) is 4-[(E)-2-(4-fluorophenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]aniline.
What is the SMILES notation for 4-[(E)-2-(4-fluorophenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]aniline?
The canonical SMILES for 4-[(E)-2-(4-fluorophenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]aniline is Fc1ccc(/C=C/c2ccc(N(c3ccc(/C=C/c4ccc(F)cc4)cc3)c3ccc(/C=C/c4ccc(F)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[(E)-2-(4-fluorophenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]aniline?
The InChIKey is SLPTWLBVCNHGAD-GZDDRBCLSA-N. The full InChI is InChI=1S/C42H30F3N/c43-37-19-7-31(8-20-37)1-4-34-13-25-40(26-14-34)46(41-27-15-35(16-28-41)5-2-32-9-21-38(44)22-10-32)42-29-17-36(18-30-42)6-3-33-11-23-39(45)24-12-33/h1-30H/b4-1+,5-2+,6-3+.
What are the key properties of 4-[(E)-2-(4-fluorophenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]aniline?
4-[(E)-2-(4-fluorophenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]aniline has a molecular weight of 605.70 g/mol, XLogP of 12.08, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-fluorophenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]aniline is sourced from PubChem (CID 59838893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).