4-[(E)-2-(3-fluorophenyl)ethenyl]-N,N-bis[4-[(E)-2-(3-fluorophenyl)ethenyl]phenyl]aniline

C42H30F3N — CID 59838891

IUPAC4-[(E)-2-(3-fluorophenyl)ethenyl]-N,N-bis[4-[(E)-2-(3-fluorophenyl)ethenyl]phenyl]aniline
SMILESFc1cccc(/C=C/c2ccc(N(c3ccc(/C=C/c4cccc(F)c4)cc3)c3ccc(/C=C/c4cccc(F)c4)cc3)cc2)c1
InChIInChI=1S/C42H30F3N/c43-37-7-1-4-34(28-37)13-10-31-16-22-40(23-17-31)46(41-24-18-32(19-25-41)11-14-35-5-2-8-38(44)29-35)42-26-20-33(21-27-42)12-15-36-6-3-9-39(45)30-36/h1-30H/b13-10+,14-11+,15-12+
InChIKeyHCGBYMVGUUHHAT-DZURWXOBSA-N
MW605.70 g/mol
LogP12.08
Rot. Bonds9

About 4-[(E)-2-(3-fluorophenyl)ethenyl]-N,N-bis[4-[(E)-2-(3-fluorophenyl)ethenyl]phenyl]aniline

4-[(E)-2-(3-fluorophenyl)ethenyl]-N,N-bis[4-[(E)-2-(3-fluorophenyl)ethenyl]phenyl]aniline (PubChem CID 59838891) has the molecular formula C42H30F3N and a molecular weight of 605.70 g/mol. Its IUPAC name is 4-[(E)-2-(3-fluorophenyl)ethenyl]-N,N-bis[4-[(E)-2-(3-fluorophenyl)ethenyl]phenyl]aniline.

Molecular Properties

Compound Name4-[(E)-2-(3-fluorophenyl)ethenyl]-N,N-bis[4-[(E)-2-(3-fluorophenyl)ethenyl]phenyl]aniline
PubChem CID59838891
Molecular FormulaC42H30F3N
Molecular Weight605.70 g/mol
Exact Mass605.23
IUPAC Name4-[(E)-2-(3-fluorophenyl)ethenyl]-N,N-bis[4-[(E)-2-(3-fluorophenyl)ethenyl]phenyl]aniline
SMILESFc1cccc(/C=C/c2ccc(N(c3ccc(/C=C/c4cccc(F)c4)cc3)c3ccc(/C=C/c4cccc(F)c4)cc3)cc2)c1
InChIInChI=1S/C42H30F3N/c43-37-7-1-4-34(28-37)13-10-31-16-22-40(23-17-31)46(41-24-18-32(19-25-41)11-14-35-5-2-8-38(44)29-35)42-26-20-33(21-27-42)12-15-36-6-3-9-39(45)30-36/h1-30H/b13-10+,14-11+,15-12+
InChIKeyHCGBYMVGUUHHAT-DZURWXOBSA-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-(3-fluorophenyl)ethenyl]-N,N-bis[4-[(E)-2-(3-fluorophenyl)ethenyl]phenyl]aniline?
The IUPAC name of 4-[(E)-2-(3-fluorophenyl)ethenyl]-N,N-bis[4-[(E)-2-(3-fluorophenyl)ethenyl]phenyl]aniline (CID 59838891) is 4-[(E)-2-(3-fluorophenyl)ethenyl]-N,N-bis[4-[(E)-2-(3-fluorophenyl)ethenyl]phenyl]aniline.
What is the SMILES notation for 4-[(E)-2-(3-fluorophenyl)ethenyl]-N,N-bis[4-[(E)-2-(3-fluorophenyl)ethenyl]phenyl]aniline?
The canonical SMILES for 4-[(E)-2-(3-fluorophenyl)ethenyl]-N,N-bis[4-[(E)-2-(3-fluorophenyl)ethenyl]phenyl]aniline is Fc1cccc(/C=C/c2ccc(N(c3ccc(/C=C/c4cccc(F)c4)cc3)c3ccc(/C=C/c4cccc(F)c4)cc3)cc2)c1.
What is the InChIKey of 4-[(E)-2-(3-fluorophenyl)ethenyl]-N,N-bis[4-[(E)-2-(3-fluorophenyl)ethenyl]phenyl]aniline?
The InChIKey is HCGBYMVGUUHHAT-DZURWXOBSA-N. The full InChI is InChI=1S/C42H30F3N/c43-37-7-1-4-34(28-37)13-10-31-16-22-40(23-17-31)46(41-24-18-32(19-25-41)11-14-35-5-2-8-38(44)29-35)42-26-20-33(21-27-42)12-15-36-6-3-9-39(45)30-36/h1-30H/b13-10+,14-11+,15-12+.
What are the key properties of 4-[(E)-2-(3-fluorophenyl)ethenyl]-N,N-bis[4-[(E)-2-(3-fluorophenyl)ethenyl]phenyl]aniline?
4-[(E)-2-(3-fluorophenyl)ethenyl]-N,N-bis[4-[(E)-2-(3-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-(3-fluorophenyl)ethenyl]-N,N-bis[4-[(E)-2-(3-fluorophenyl)ethenyl]phenyl]aniline is sourced from PubChem (CID 59838891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).