(Z)-2-(methyliminomethyl)-3-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-benzofuran-6-yl]prop-2-en-1-ol

C37H30N2O2 — CID 153392928

About (Z)-2-(methyliminomethyl)-3-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-benzofuran-6-yl]prop-2-en-1-ol

(Z)-2-(methyliminomethyl)-3-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-benzofuran-6-yl]prop-2-en-1-ol (PubChem CID 153392928) has the molecular formula C37H30N2O2 and a molecular weight of 534.66 g/mol. Its IUPAC name is (Z)-2-(methyliminomethyl)-3-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-benzofuran-6-yl]prop-2-en-1-ol.

Molecular Properties

• Compound Name: (Z)-2-(methyliminomethyl)-3-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-benzofuran-6-yl]prop-2-en-1-ol
• PubChem CID: 153392928
• Molecular Formula: C37H30N2O2
• Molecular Weight: 534.66 g/mol
• Exact Mass: 534.23
• IUPAC Name: (Z)-2-(methyliminomethyl)-3-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-benzofuran-6-yl]prop-2-en-1-ol
• SMILES: C/N=C/C(=C/c1ccc2cc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)oc2c1)CO
• InChI: InChI=1S/C37H30N2O2/c1-38-25-28(26-40)22-27-12-13-32-24-37(41-36(32)23-27)31-16-14-29(15-17-31)30-18-20-35(21-19-30)39(33-8-4-2-5-9-33)34-10-6-3-7-11-34/h2-25,40H,26H2,1H3/b28-22-,38-25+
• InChIKey: DHPXMFYHRKOSEU-JEUUBHHSSA-N
• XLogP: 9.31
• TPSA: 48.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.66
LogP ≤ 5	9.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(methyliminomethyl)-3-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-benzofuran-6-yl]prop-2-en-1-ol?

The IUPAC name of (Z)-2-(methyliminomethyl)-3-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-benzofuran-6-yl]prop-2-en-1-ol (CID 153392928) is (Z)-2-(methyliminomethyl)-3-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-benzofuran-6-yl]prop-2-en-1-ol.

What is the SMILES notation for (Z)-2-(methyliminomethyl)-3-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-benzofuran-6-yl]prop-2-en-1-ol?

The canonical SMILES for (Z)-2-(methyliminomethyl)-3-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-benzofuran-6-yl]prop-2-en-1-ol is C/N=C/C(=C/c1ccc2cc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)oc2c1)CO.

What is the InChIKey of (Z)-2-(methyliminomethyl)-3-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-benzofuran-6-yl]prop-2-en-1-ol?

The InChIKey is DHPXMFYHRKOSEU-JEUUBHHSSA-N. The full InChI is InChI=1S/C37H30N2O2/c1-38-25-28(26-40)22-27-12-13-32-24-37(41-36(32)23-27)31-16-14-29(15-17-31)30-18-20-35(21-19-30)39(33-8-4-2-5-9-33)34-10-6-3-7-11-34/h2-25,40H,26H2,1H3/b28-22-,38-25+.

What are the key properties of (Z)-2-(methyliminomethyl)-3-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-benzofuran-6-yl]prop-2-en-1-ol?

(Z)-2-(methyliminomethyl)-3-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-benzofuran-6-yl]prop-2-en-1-ol has a molecular weight of 534.66 g/mol, XLogP of 9.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-2-(methyliminomethyl)-3-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-benzofuran-6-yl]prop-2-en-1-ol is sourced from PubChem (CID 153392928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).