1-[3-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]phenyl]-N-[1-(4-phenylphenyl)ethenyl]ethanimine

C33H29N — CID 142394381

IUPAC1-[3-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]phenyl]-N-[1-(4-phenylphenyl)ethenyl]ethanimine
SMILESC=C/C(=C\C)c1cccc(-c2cccc(/C(C)=N/C(=C)c3ccc(-c4ccccc4)cc3)c2)c1
InChIInChI=1S/C33H29N/c1-5-26(6-2)31-15-11-17-33(23-31)32-16-10-14-30(22-32)25(4)34-24(3)27-18-20-29(21-19-27)28-12-8-7-9-13-28/h5-23H,1,3H2,2,4H3/b26-6+,34-25+
InChIKeyQNQTXUZSHPUPBQ-SCBSWZKMSA-N
MW439.60 g/mol
LogP9.09
Rot. Bonds7

About 1-[3-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]phenyl]-N-[1-(4-phenylphenyl)ethenyl]ethanimine

1-[3-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]phenyl]-N-[1-(4-phenylphenyl)ethenyl]ethanimine (PubChem CID 142394381) has the molecular formula C33H29N and a molecular weight of 439.60 g/mol. Its IUPAC name is 1-[3-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]phenyl]-N-[1-(4-phenylphenyl)ethenyl]ethanimine.

Molecular Properties

Compound Name1-[3-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]phenyl]-N-[1-(4-phenylphenyl)ethenyl]ethanimine
PubChem CID142394381
Molecular FormulaC33H29N
Molecular Weight439.60 g/mol
Exact Mass439.23
IUPAC Name1-[3-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]phenyl]-N-[1-(4-phenylphenyl)ethenyl]ethanimine
SMILESC=C/C(=C\C)c1cccc(-c2cccc(/C(C)=N/C(=C)c3ccc(-c4ccccc4)cc3)c2)c1
InChIInChI=1S/C33H29N/c1-5-26(6-2)31-15-11-17-33(23-31)32-16-10-14-30(22-32)25(4)34-24(3)27-18-20-29(21-19-27)28-12-8-7-9-13-28/h5-23H,1,3H2,2,4H3/b26-6+,34-25+
InChIKeyQNQTXUZSHPUPBQ-SCBSWZKMSA-N
XLogP9.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.60
LogP ≤ 59.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]phenyl]-N-[1-(4-phenylphenyl)ethenyl]ethanimine?
The IUPAC name of 1-[3-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]phenyl]-N-[1-(4-phenylphenyl)ethenyl]ethanimine (CID 142394381) is 1-[3-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]phenyl]-N-[1-(4-phenylphenyl)ethenyl]ethanimine.
What is the SMILES notation for 1-[3-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]phenyl]-N-[1-(4-phenylphenyl)ethenyl]ethanimine?
The canonical SMILES for 1-[3-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]phenyl]-N-[1-(4-phenylphenyl)ethenyl]ethanimine is C=C/C(=C\C)c1cccc(-c2cccc(/C(C)=N/C(=C)c3ccc(-c4ccccc4)cc3)c2)c1.
What is the InChIKey of 1-[3-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]phenyl]-N-[1-(4-phenylphenyl)ethenyl]ethanimine?
The InChIKey is QNQTXUZSHPUPBQ-SCBSWZKMSA-N. The full InChI is InChI=1S/C33H29N/c1-5-26(6-2)31-15-11-17-33(23-31)32-16-10-14-30(22-32)25(4)34-24(3)27-18-20-29(21-19-27)28-12-8-7-9-13-28/h5-23H,1,3H2,2,4H3/b26-6+,34-25+.
What are the key properties of 1-[3-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]phenyl]-N-[1-(4-phenylphenyl)ethenyl]ethanimine?
1-[3-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]phenyl]-N-[1-(4-phenylphenyl)ethenyl]ethanimine has a molecular weight of 439.60 g/mol, XLogP of 9.09, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]phenyl]-N-[1-(4-phenylphenyl)ethenyl]ethanimine is sourced from PubChem (CID 142394381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).