4-[2-[5-[4-(Diethylamino)phenyl]-4,5-dihydro-1-phenyl-1H-pyrazol-3-yl]vinyl]-N,N-diethylaniline

• CAS: 57609-72-0
• Catalog Number: ACM57609720
• Category: Organic & Printed Electronics
• Molecular Weight: 466.7g/mol
• Molecular Formula: C31H38N4
• Synonyms: 1-PHENYL-3-(P-DIETHYLAMINO-STYRYL)-5-(P-DIETHYLAMINO-PHENYL)-PYRAZOLIN;4-[2-[5-[4-(DIETHYLAMINO)PHENYL]-4,5-DIHYDRO-1-PHENYL-1H-PYRAZOL-3-YL]ETHENYL]-N,N-DIETHYLANILINE;4-[2-[5-[4-(Diethylamino)phenyl]-4,5-dihydro-1-phenyl-1H-pyrazol-3-yl]vinyl]-N,N-dieth
• IUPAC Name: 4-[(E)-2-[3-[4-(diethylamino)phenyl]-2-phenyl-3,4-dihydropyrazol-5-yl]ethenyl]-N,N-diethylaniline
• Canonical SMILES: CCN(CC)C1=CC=C(C=C1)C=CC2=NN(C(C2)C3=CC=C(C=C3)N(CC)CC)C4=CC=CC=C4
• InChI: InChI=1S/C31H38N4/c1-5-33(6-2)28-20-15-25(16-21-28)14-19-27-24-31(35(32-27)30-12-10-9-11-13-30)26-17-22-29(23-18-26)34(7-3)8-4/h9-23,31H,5-8,24H2,1-4H3/b19-14+
• InChI Key: BZKRKPGZABEOSM-XMHGGMMESA-N
• Complexity: 658
• Covalently-Bonded Unit Count: 1
• EC Number: 260-848-4
• Exact Mass: 466.309647g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 35
• Monoisotopic Mass: 466.309647g/mol
• Rotatable Bond Count: 10
• XLogP3: 7.2

Custom Q&A

What is the molecular formula of the compound in PubChem CID 6286388?

The molecular formula is C31H38N4.

What is the molecular weight of the compound?

The molecular weight is 466.7 g/mol.

What is the IUPAC Name of the compound?

The IUPAC Name is 4-[(E)-2-[3-[4-(diethylamino)phenyl]-2-phenyl-3,4-dihydropyrazol-5-yl]ethenyl]-N,N-diethylaniline.

What is the InChIKey of the compound?

The InChIKey is BZKRKPGZABEOSM-XMHGGMMESA-N.

What is the Canonical SMILES representation of the compound?

The Canonical SMILES representation is CCN(CC)C1=CC=C(C=C1)C=CC2=NN(C(C2)C3=CC=C(C=C3)N(CC)CC)C4=CC=CC=C4.

What is the Isomeric SMILES representation of the compound?

The Isomeric SMILES representation is CCN(CC)C1=CC=C(C=C1)/C=C/C2=NN(C(C2)C3=CC=C(C=C3)N(CC)CC)C4=CC=CC=C4.

What is the CAS number of the compound?

The CAS number is 57609-72-0.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 7.2.

How many hydrogen bond acceptor counts does the compound have?

The compound has 4 hydrogen bond acceptor counts.

How many rotatable bond counts does the compound have?

The compound has 10 rotatable bond counts.