N-benzyl-N-[(E)-[(5E)-5-(dibenzylhydrazinylidene)hexan-2-ylidene]amino]-1-phenylmethanamine

C34H38N4 — CID 89455930

IUPACN-benzyl-N-[(E)-[(5E)-5-(dibenzylhydrazinylidene)hexan-2-ylidene]amino]-1-phenylmethanamine
SMILESC/C(CC/C(C)=N/N(Cc1ccccc1)Cc1ccccc1)=N\N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C34H38N4/c1-29(35-37(25-31-15-7-3-8-16-31)26-32-17-9-4-10-18-32)23-24-30(2)36-38(27-33-19-11-5-12-20-33)28-34-21-13-6-14-22-34/h3-22H,23-28H2,1-2H3/b35-29+,36-30+
InChIKeyWXMNRBFZLPXXIP-ZRBLUKEISA-N
MW502.71 g/mol
LogP7.92
Rot. Bonds13

About N-benzyl-N-[(E)-[(5E)-5-(dibenzylhydrazinylidene)hexan-2-ylidene]amino]-1-phenylmethanamine

N-benzyl-N-[(E)-[(5E)-5-(dibenzylhydrazinylidene)hexan-2-ylidene]amino]-1-phenylmethanamine (PubChem CID 89455930) has the molecular formula C34H38N4 and a molecular weight of 502.71 g/mol. Its IUPAC name is N-benzyl-N-[(E)-[(5E)-5-(dibenzylhydrazinylidene)hexan-2-ylidene]amino]-1-phenylmethanamine.

Molecular Properties

Compound NameN-benzyl-N-[(E)-[(5E)-5-(dibenzylhydrazinylidene)hexan-2-ylidene]amino]-1-phenylmethanamine
PubChem CID89455930
Molecular FormulaC34H38N4
Molecular Weight502.71 g/mol
Exact Mass502.31
IUPAC NameN-benzyl-N-[(E)-[(5E)-5-(dibenzylhydrazinylidene)hexan-2-ylidene]amino]-1-phenylmethanamine
SMILESC/C(CC/C(C)=N/N(Cc1ccccc1)Cc1ccccc1)=N\N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C34H38N4/c1-29(35-37(25-31-15-7-3-8-16-31)26-32-17-9-4-10-18-32)23-24-30(2)36-38(27-33-19-11-5-12-20-33)28-34-21-13-6-14-22-34/h3-22H,23-28H2,1-2H3/b35-29+,36-30+
InChIKeyWXMNRBFZLPXXIP-ZRBLUKEISA-N
XLogP7.92
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.71
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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)-[(5E)-5-(dibenzylhydrazinylidene)hexan-2-ylidene]amino]-1-phenylmethanamine?
The IUPAC name of N-benzyl-N-[(E)-[(5E)-5-(dibenzylhydrazinylidene)hexan-2-ylidene]amino]-1-phenylmethanamine (CID 89455930) is N-benzyl-N-[(E)-[(5E)-5-(dibenzylhydrazinylidene)hexan-2-ylidene]amino]-1-phenylmethanamine.
What is the SMILES notation for N-benzyl-N-[(E)-[(5E)-5-(dibenzylhydrazinylidene)hexan-2-ylidene]amino]-1-phenylmethanamine?
The canonical SMILES for N-benzyl-N-[(E)-[(5E)-5-(dibenzylhydrazinylidene)hexan-2-ylidene]amino]-1-phenylmethanamine is C/C(CC/C(C)=N/N(Cc1ccccc1)Cc1ccccc1)=N\N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[(E)-[(5E)-5-(dibenzylhydrazinylidene)hexan-2-ylidene]amino]-1-phenylmethanamine?
The InChIKey is WXMNRBFZLPXXIP-ZRBLUKEISA-N. The full InChI is InChI=1S/C34H38N4/c1-29(35-37(25-31-15-7-3-8-16-31)26-32-17-9-4-10-18-32)23-24-30(2)36-38(27-33-19-11-5-12-20-33)28-34-21-13-6-14-22-34/h3-22H,23-28H2,1-2H3/b35-29+,36-30+.
What are the key properties of N-benzyl-N-[(E)-[(5E)-5-(dibenzylhydrazinylidene)hexan-2-ylidene]amino]-1-phenylmethanamine?
N-benzyl-N-[(E)-[(5E)-5-(dibenzylhydrazinylidene)hexan-2-ylidene]amino]-1-phenylmethanamine has a molecular weight of 502.71 g/mol, XLogP of 7.92, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(E)-[(5E)-5-(dibenzylhydrazinylidene)hexan-2-ylidene]amino]-1-phenylmethanamine is sourced from PubChem (CID 89455930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).