(Z)-3-benzylimino-1-[4-[4-[2-(3,5-diphenylphenyl)-4-phenylfuro[3,2-c]quinolin-3-yl]phenyl]phenyl]-3-phenylprop-1-en-1-amine

C63H45N3O — CID 164716514

About (Z)-3-benzylimino-1-[4-[4-[2-(3,5-diphenylphenyl)-4-phenylfuro[3,2-c]quinolin-3-yl]phenyl]phenyl]-3-phenylprop-1-en-1-amine

(Z)-3-benzylimino-1-[4-[4-[2-(3,5-diphenylphenyl)-4-phenylfuro[3,2-c]quinolin-3-yl]phenyl]phenyl]-3-phenylprop-1-en-1-amine (PubChem CID 164716514) has the molecular formula C63H45N3O and a molecular weight of 860.07 g/mol. Its IUPAC name is (Z)-3-benzylimino-1-[4-[4-[2-(3,5-diphenylphenyl)-4-phenylfuro[3,2-c]quinolin-3-yl]phenyl]phenyl]-3-phenylprop-1-en-1-amine.

Molecular Properties

• Compound Name: (Z)-3-benzylimino-1-[4-[4-[2-(3,5-diphenylphenyl)-4-phenylfuro[3,2-c]quinolin-3-yl]phenyl]phenyl]-3-phenylprop-1-en-1-amine
• PubChem CID: 164716514
• Molecular Formula: C63H45N3O
• Molecular Weight: 860.07 g/mol
• Exact Mass: 859.36
• IUPAC Name: (Z)-3-benzylimino-1-[4-[4-[2-(3,5-diphenylphenyl)-4-phenylfuro[3,2-c]quinolin-3-yl]phenyl]phenyl]-3-phenylprop-1-en-1-amine
• SMILES: N/C(=C\C(=N\Cc1ccccc1)c1ccccc1)c1ccc(-c2ccc(-c3c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)oc4c3c(-c3ccccc3)nc3ccccc34)cc2)cc1
• InChI: InChI=1S/C63H45N3O/c64-56(41-58(49-24-12-4-13-25-49)65-42-43-18-6-1-7-19-43)48-34-30-46(31-35-48)47-32-36-50(37-33-47)59-60-61(51-26-14-5-15-27-51)66-57-29-17-16-28-55(57)63(60)67-62(59)54-39-52(44-20-8-2-9-21-44)38-53(40-54)45-22-10-3-11-23-45/h1-41H,42,64H2/b56-41-,65-58-
• InChIKey: QBUMWZHWWUHROH-CHFFALFISA-N
• XLogP: 15.97
• TPSA: 64.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	860.07
LogP ≤ 5	15.97
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)-3-benzylimino-1-[4-[4-[2-(3,5-diphenylphenyl)-4-phenylfuro[3,2-c]quinolin-3-yl]phenyl]phenyl]-3-phenylprop-1-en-1-amine?

The IUPAC name of (Z)-3-benzylimino-1-[4-[4-[2-(3,5-diphenylphenyl)-4-phenylfuro[3,2-c]quinolin-3-yl]phenyl]phenyl]-3-phenylprop-1-en-1-amine (CID 164716514) is (Z)-3-benzylimino-1-[4-[4-[2-(3,5-diphenylphenyl)-4-phenylfuro[3,2-c]quinolin-3-yl]phenyl]phenyl]-3-phenylprop-1-en-1-amine.

What is the SMILES notation for (Z)-3-benzylimino-1-[4-[4-[2-(3,5-diphenylphenyl)-4-phenylfuro[3,2-c]quinolin-3-yl]phenyl]phenyl]-3-phenylprop-1-en-1-amine?

The canonical SMILES for (Z)-3-benzylimino-1-[4-[4-[2-(3,5-diphenylphenyl)-4-phenylfuro[3,2-c]quinolin-3-yl]phenyl]phenyl]-3-phenylprop-1-en-1-amine is N/C(=C\C(=N\Cc1ccccc1)c1ccccc1)c1ccc(-c2ccc(-c3c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)oc4c3c(-c3ccccc3)nc3ccccc34)cc2)cc1.

What is the InChIKey of (Z)-3-benzylimino-1-[4-[4-[2-(3,5-diphenylphenyl)-4-phenylfuro[3,2-c]quinolin-3-yl]phenyl]phenyl]-3-phenylprop-1-en-1-amine?

The InChIKey is QBUMWZHWWUHROH-CHFFALFISA-N. The full InChI is InChI=1S/C63H45N3O/c64-56(41-58(49-24-12-4-13-25-49)65-42-43-18-6-1-7-19-43)48-34-30-46(31-35-48)47-32-36-50(37-33-47)59-60-61(51-26-14-5-15-27-51)66-57-29-17-16-28-55(57)63(60)67-62(59)54-39-52(44-20-8-2-9-21-44)38-53(40-54)45-22-10-3-11-23-45/h1-41H,42,64H2/b56-41-,65-58-.

What are the key properties of (Z)-3-benzylimino-1-[4-[4-[2-(3,5-diphenylphenyl)-4-phenylfuro[3,2-c]quinolin-3-yl]phenyl]phenyl]-3-phenylprop-1-en-1-amine?

(Z)-3-benzylimino-1-[4-[4-[2-(3,5-diphenylphenyl)-4-phenylfuro[3,2-c]quinolin-3-yl]phenyl]phenyl]-3-phenylprop-1-en-1-amine has a molecular weight of 860.07 g/mol, XLogP of 15.97, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-3-benzylimino-1-[4-[4-[2-(3,5-diphenylphenyl)-4-phenylfuro[3,2-c]quinolin-3-yl]phenyl]phenyl]-3-phenylprop-1-en-1-amine is sourced from PubChem (CID 164716514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).