N-benzyl-N-[(E)-[(3E)-3-(dibenzylhydrazinylidene)pentan-2-ylidene]amino]-1-phenylmethanamine

C33H36N4 — CID 89455936

IUPACN-benzyl-N-[(E)-[(3E)-3-(dibenzylhydrazinylidene)pentan-2-ylidene]amino]-1-phenylmethanamine
SMILESCCC(=N\N(Cc1ccccc1)Cc1ccccc1)/C(C)=N/N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C33H36N4/c1-3-33(35-37(26-31-20-12-6-13-21-31)27-32-22-14-7-15-23-32)28(2)34-36(24-29-16-8-4-9-17-29)25-30-18-10-5-11-19-30/h4-23H,3,24-27H2,1-2H3/b34-28+,35-33+
InChIKeyDFHXOMCRITURKT-OKDCLXJJSA-N
MW488.68 g/mol
LogP7.53
Rot. Bonds12

About N-benzyl-N-[(E)-[(3E)-3-(dibenzylhydrazinylidene)pentan-2-ylidene]amino]-1-phenylmethanamine

N-benzyl-N-[(E)-[(3E)-3-(dibenzylhydrazinylidene)pentan-2-ylidene]amino]-1-phenylmethanamine (PubChem CID 89455936) has the molecular formula C33H36N4 and a molecular weight of 488.68 g/mol. Its IUPAC name is N-benzyl-N-[(E)-[(3E)-3-(dibenzylhydrazinylidene)pentan-2-ylidene]amino]-1-phenylmethanamine.

Molecular Properties

Compound NameN-benzyl-N-[(E)-[(3E)-3-(dibenzylhydrazinylidene)pentan-2-ylidene]amino]-1-phenylmethanamine
PubChem CID89455936
Molecular FormulaC33H36N4
Molecular Weight488.68 g/mol
Exact Mass488.29
IUPAC NameN-benzyl-N-[(E)-[(3E)-3-(dibenzylhydrazinylidene)pentan-2-ylidene]amino]-1-phenylmethanamine
SMILESCCC(=N\N(Cc1ccccc1)Cc1ccccc1)/C(C)=N/N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C33H36N4/c1-3-33(35-37(26-31-20-12-6-13-21-31)27-32-22-14-7-15-23-32)28(2)34-36(24-29-16-8-4-9-17-29)25-30-18-10-5-11-19-30/h4-23H,3,24-27H2,1-2H3/b34-28+,35-33+
InChIKeyDFHXOMCRITURKT-OKDCLXJJSA-N
XLogP7.53
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.68
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(E)-[(3E)-3-(dibenzylhydrazinylidene)pentan-2-ylidene]amino]-1-phenylmethanamine?
The IUPAC name of N-benzyl-N-[(E)-[(3E)-3-(dibenzylhydrazinylidene)pentan-2-ylidene]amino]-1-phenylmethanamine (CID 89455936) is N-benzyl-N-[(E)-[(3E)-3-(dibenzylhydrazinylidene)pentan-2-ylidene]amino]-1-phenylmethanamine.
What is the SMILES notation for N-benzyl-N-[(E)-[(3E)-3-(dibenzylhydrazinylidene)pentan-2-ylidene]amino]-1-phenylmethanamine?
The canonical SMILES for N-benzyl-N-[(E)-[(3E)-3-(dibenzylhydrazinylidene)pentan-2-ylidene]amino]-1-phenylmethanamine is CCC(=N\N(Cc1ccccc1)Cc1ccccc1)/C(C)=N/N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[(E)-[(3E)-3-(dibenzylhydrazinylidene)pentan-2-ylidene]amino]-1-phenylmethanamine?
The InChIKey is DFHXOMCRITURKT-OKDCLXJJSA-N. The full InChI is InChI=1S/C33H36N4/c1-3-33(35-37(26-31-20-12-6-13-21-31)27-32-22-14-7-15-23-32)28(2)34-36(24-29-16-8-4-9-17-29)25-30-18-10-5-11-19-30/h4-23H,3,24-27H2,1-2H3/b34-28+,35-33+.
What are the key properties of N-benzyl-N-[(E)-[(3E)-3-(dibenzylhydrazinylidene)pentan-2-ylidene]amino]-1-phenylmethanamine?
N-benzyl-N-[(E)-[(3E)-3-(dibenzylhydrazinylidene)pentan-2-ylidene]amino]-1-phenylmethanamine has a molecular weight of 488.68 g/mol, XLogP of 7.53, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(E)-[(3E)-3-(dibenzylhydrazinylidene)pentan-2-ylidene]amino]-1-phenylmethanamine is sourced from PubChem (CID 89455936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).