4-[(Z)-2-[4-[4-[(E)-2-[4-(diethylamino)phenyl]-2-phenylethenyl]phenyl]phenyl]-1-phenylethenyl]-N,N-diethylaniline

C48H48N2 — CID 59935150

IUPAC4-[(Z)-2-[4-[4-[(E)-2-[4-(diethylamino)phenyl]-2-phenylethenyl]phenyl]phenyl]-1-phenylethenyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(/C(=C\c2ccc(-c3ccc(/C=C(\c4ccccc4)c4ccc(N(CC)CC)cc4)cc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C48H48N2/c1-5-49(6-2)45-31-27-43(28-32-45)47(41-15-11-9-12-16-41)35-37-19-23-39(24-20-37)40-25-21-38(22-26-40)36-48(42-17-13-10-14-18-42)44-29-33-46(34-30-44)50(7-3)8-4/h9-36H,5-8H2,1-4H3/b47-35-,48-36+
InChIKeyADUCUQZMIFVVHZ-ULWUYRPPSA-N
MW652.93 g/mol
LogP12.22
Rot. Bonds13

About 4-[(Z)-2-[4-[4-[(E)-2-[4-(diethylamino)phenyl]-2-phenylethenyl]phenyl]phenyl]-1-phenylethenyl]-N,N-diethylaniline

4-[(Z)-2-[4-[4-[(E)-2-[4-(diethylamino)phenyl]-2-phenylethenyl]phenyl]phenyl]-1-phenylethenyl]-N,N-diethylaniline (PubChem CID 59935150) has the molecular formula C48H48N2 and a molecular weight of 652.93 g/mol. Its IUPAC name is 4-[(Z)-2-[4-[4-[(E)-2-[4-(diethylamino)phenyl]-2-phenylethenyl]phenyl]phenyl]-1-phenylethenyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[(Z)-2-[4-[4-[(E)-2-[4-(diethylamino)phenyl]-2-phenylethenyl]phenyl]phenyl]-1-phenylethenyl]-N,N-diethylaniline
PubChem CID59935150
Molecular FormulaC48H48N2
Molecular Weight652.93 g/mol
Exact Mass652.38
IUPAC Name4-[(Z)-2-[4-[4-[(E)-2-[4-(diethylamino)phenyl]-2-phenylethenyl]phenyl]phenyl]-1-phenylethenyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(/C(=C\c2ccc(-c3ccc(/C=C(\c4ccccc4)c4ccc(N(CC)CC)cc4)cc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C48H48N2/c1-5-49(6-2)45-31-27-43(28-32-45)47(41-15-11-9-12-16-41)35-37-19-23-39(24-20-37)40-25-21-38(22-26-40)36-48(42-17-13-10-14-18-42)44-29-33-46(34-30-44)50(7-3)8-4/h9-36H,5-8H2,1-4H3/b47-35-,48-36+
InChIKeyADUCUQZMIFVVHZ-ULWUYRPPSA-N
XLogP12.22
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.93
LogP ≤ 512.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-[4-[4-[(E)-2-[4-(diethylamino)phenyl]-2-phenylethenyl]phenyl]phenyl]-1-phenylethenyl]-N,N-diethylaniline?
The IUPAC name of 4-[(Z)-2-[4-[4-[(E)-2-[4-(diethylamino)phenyl]-2-phenylethenyl]phenyl]phenyl]-1-phenylethenyl]-N,N-diethylaniline (CID 59935150) is 4-[(Z)-2-[4-[4-[(E)-2-[4-(diethylamino)phenyl]-2-phenylethenyl]phenyl]phenyl]-1-phenylethenyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[(Z)-2-[4-[4-[(E)-2-[4-(diethylamino)phenyl]-2-phenylethenyl]phenyl]phenyl]-1-phenylethenyl]-N,N-diethylaniline?
The canonical SMILES for 4-[(Z)-2-[4-[4-[(E)-2-[4-(diethylamino)phenyl]-2-phenylethenyl]phenyl]phenyl]-1-phenylethenyl]-N,N-diethylaniline is CCN(CC)c1ccc(/C(=C\c2ccc(-c3ccc(/C=C(\c4ccccc4)c4ccc(N(CC)CC)cc4)cc3)cc2)c2ccccc2)cc1.
What is the InChIKey of 4-[(Z)-2-[4-[4-[(E)-2-[4-(diethylamino)phenyl]-2-phenylethenyl]phenyl]phenyl]-1-phenylethenyl]-N,N-diethylaniline?
The InChIKey is ADUCUQZMIFVVHZ-ULWUYRPPSA-N. The full InChI is InChI=1S/C48H48N2/c1-5-49(6-2)45-31-27-43(28-32-45)47(41-15-11-9-12-16-41)35-37-19-23-39(24-20-37)40-25-21-38(22-26-40)36-48(42-17-13-10-14-18-42)44-29-33-46(34-30-44)50(7-3)8-4/h9-36H,5-8H2,1-4H3/b47-35-,48-36+.
What are the key properties of 4-[(Z)-2-[4-[4-[(E)-2-[4-(diethylamino)phenyl]-2-phenylethenyl]phenyl]phenyl]-1-phenylethenyl]-N,N-diethylaniline?
4-[(Z)-2-[4-[4-[(E)-2-[4-(diethylamino)phenyl]-2-phenylethenyl]phenyl]phenyl]-1-phenylethenyl]-N,N-diethylaniline has a molecular weight of 652.93 g/mol, XLogP of 12.22, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-[4-[4-[(E)-2-[4-(diethylamino)phenyl]-2-phenylethenyl]phenyl]phenyl]-1-phenylethenyl]-N,N-diethylaniline is sourced from PubChem (CID 59935150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).