(4E)-2-benzyl-4-benzylidene-3-phenyl-1,3-dihydroisoquinoline

C29H25N — CID 177453454

IUPAC(4E)-2-benzyl-4-benzylidene-3-phenyl-1,3-dihydroisoquinoline
SMILESC(=C1\c2ccccc2CN(Cc2ccccc2)C1c1ccccc1)\c1ccccc1
InChIInChI=1S/C29H25N/c1-4-12-23(13-5-1)20-28-27-19-11-10-18-26(27)22-30(21-24-14-6-2-7-15-24)29(28)25-16-8-3-9-17-25/h1-20,29H,21-22H2/b28-20+
InChIKeyFAHVDPNENZZBJG-VFCFBJKWSA-N
MW387.53 g/mol
LogP6.98
Rot. Bonds4

About (4E)-2-benzyl-4-benzylidene-3-phenyl-1,3-dihydroisoquinoline

(4E)-2-benzyl-4-benzylidene-3-phenyl-1,3-dihydroisoquinoline (PubChem CID 177453454) has the molecular formula C29H25N and a molecular weight of 387.53 g/mol. Its IUPAC name is (4E)-2-benzyl-4-benzylidene-3-phenyl-1,3-dihydroisoquinoline.

Molecular Properties

Compound Name(4E)-2-benzyl-4-benzylidene-3-phenyl-1,3-dihydroisoquinoline
PubChem CID177453454
Molecular FormulaC29H25N
Molecular Weight387.53 g/mol
Exact Mass387.20
IUPAC Name(4E)-2-benzyl-4-benzylidene-3-phenyl-1,3-dihydroisoquinoline
SMILESC(=C1\c2ccccc2CN(Cc2ccccc2)C1c1ccccc1)\c1ccccc1
InChIInChI=1S/C29H25N/c1-4-12-23(13-5-1)20-28-27-19-11-10-18-26(27)22-30(21-24-14-6-2-7-15-24)29(28)25-16-8-3-9-17-25/h1-20,29H,21-22H2/b28-20+
InChIKeyFAHVDPNENZZBJG-VFCFBJKWSA-N
XLogP6.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.53
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E)-2-benzyl-4-benzylidene-3-phenyl-1,3-dihydroisoquinoline?
The IUPAC name of (4E)-2-benzyl-4-benzylidene-3-phenyl-1,3-dihydroisoquinoline (CID 177453454) is (4E)-2-benzyl-4-benzylidene-3-phenyl-1,3-dihydroisoquinoline.
What is the SMILES notation for (4E)-2-benzyl-4-benzylidene-3-phenyl-1,3-dihydroisoquinoline?
The canonical SMILES for (4E)-2-benzyl-4-benzylidene-3-phenyl-1,3-dihydroisoquinoline is C(=C1\c2ccccc2CN(Cc2ccccc2)C1c1ccccc1)\c1ccccc1.
What is the InChIKey of (4E)-2-benzyl-4-benzylidene-3-phenyl-1,3-dihydroisoquinoline?
The InChIKey is FAHVDPNENZZBJG-VFCFBJKWSA-N. The full InChI is InChI=1S/C29H25N/c1-4-12-23(13-5-1)20-28-27-19-11-10-18-26(27)22-30(21-24-14-6-2-7-15-24)29(28)25-16-8-3-9-17-25/h1-20,29H,21-22H2/b28-20+.
What are the key properties of (4E)-2-benzyl-4-benzylidene-3-phenyl-1,3-dihydroisoquinoline?
(4E)-2-benzyl-4-benzylidene-3-phenyl-1,3-dihydroisoquinoline has a molecular weight of 387.53 g/mol, XLogP of 6.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-benzyl-4-benzylidene-3-phenyl-1,3-dihydroisoquinoline is sourced from PubChem (CID 177453454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).