N-benzyl-N-[(E)-[(3E,4Z)-3,4-bis(dibenzylhydrazinylidene)cyclohexylidene]amino]-1-phenylmethanamine

C48H48N6 — CID 89455940

IUPACN-benzyl-N-[(E)-[(3E,4Z)-3,4-bis(dibenzylhydrazinylidene)cyclohexylidene]amino]-1-phenylmethanamine
SMILESc1ccc(CN(Cc2ccccc2)/N=C2/CC/C(=N\N(Cc3ccccc3)Cc3ccccc3)C/C2=N\N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C48H48N6/c1-7-19-40(20-8-1)34-52(35-41-21-9-2-10-22-41)49-46-31-32-47(50-53(36-42-23-11-3-12-24-42)37-43-25-13-4-14-26-43)48(33-46)51-54(38-44-27-15-5-16-28-44)39-45-29-17-6-18-30-45/h1-30H,31-39H2/b49-46+,50-47-,51-48+
InChIKeyNLMDSCHPKNKLAF-FRIXXSGTSA-N
MW708.95 g/mol
LogP10.35
Rot. Bonds15

About N-benzyl-N-[(E)-[(3E,4Z)-3,4-bis(dibenzylhydrazinylidene)cyclohexylidene]amino]-1-phenylmethanamine

N-benzyl-N-[(E)-[(3E,4Z)-3,4-bis(dibenzylhydrazinylidene)cyclohexylidene]amino]-1-phenylmethanamine (PubChem CID 89455940) has the molecular formula C48H48N6 and a molecular weight of 708.95 g/mol. Its IUPAC name is N-benzyl-N-[(E)-[(3E,4Z)-3,4-bis(dibenzylhydrazinylidene)cyclohexylidene]amino]-1-phenylmethanamine.

Molecular Properties

Compound NameN-benzyl-N-[(E)-[(3E,4Z)-3,4-bis(dibenzylhydrazinylidene)cyclohexylidene]amino]-1-phenylmethanamine
PubChem CID89455940
Molecular FormulaC48H48N6
Molecular Weight708.95 g/mol
Exact Mass708.39
IUPAC NameN-benzyl-N-[(E)-[(3E,4Z)-3,4-bis(dibenzylhydrazinylidene)cyclohexylidene]amino]-1-phenylmethanamine
SMILESc1ccc(CN(Cc2ccccc2)/N=C2/CC/C(=N\N(Cc3ccccc3)Cc3ccccc3)C/C2=N\N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C48H48N6/c1-7-19-40(20-8-1)34-52(35-41-21-9-2-10-22-41)49-46-31-32-47(50-53(36-42-23-11-3-12-24-42)37-43-25-13-4-14-26-43)48(33-46)51-54(38-44-27-15-5-16-28-44)39-45-29-17-6-18-30-45/h1-30H,31-39H2/b49-46+,50-47-,51-48+
InChIKeyNLMDSCHPKNKLAF-FRIXXSGTSA-N
XLogP10.35
TPSA46.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.95
LogP ≤ 510.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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,4Z)-3,4-bis(dibenzylhydrazinylidene)cyclohexylidene]amino]-1-phenylmethanamine?
The IUPAC name of N-benzyl-N-[(E)-[(3E,4Z)-3,4-bis(dibenzylhydrazinylidene)cyclohexylidene]amino]-1-phenylmethanamine (CID 89455940) is N-benzyl-N-[(E)-[(3E,4Z)-3,4-bis(dibenzylhydrazinylidene)cyclohexylidene]amino]-1-phenylmethanamine.
What is the SMILES notation for N-benzyl-N-[(E)-[(3E,4Z)-3,4-bis(dibenzylhydrazinylidene)cyclohexylidene]amino]-1-phenylmethanamine?
The canonical SMILES for N-benzyl-N-[(E)-[(3E,4Z)-3,4-bis(dibenzylhydrazinylidene)cyclohexylidene]amino]-1-phenylmethanamine is c1ccc(CN(Cc2ccccc2)/N=C2/CC/C(=N\N(Cc3ccccc3)Cc3ccccc3)C/C2=N\N(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-N-[(E)-[(3E,4Z)-3,4-bis(dibenzylhydrazinylidene)cyclohexylidene]amino]-1-phenylmethanamine?
The InChIKey is NLMDSCHPKNKLAF-FRIXXSGTSA-N. The full InChI is InChI=1S/C48H48N6/c1-7-19-40(20-8-1)34-52(35-41-21-9-2-10-22-41)49-46-31-32-47(50-53(36-42-23-11-3-12-24-42)37-43-25-13-4-14-26-43)48(33-46)51-54(38-44-27-15-5-16-28-44)39-45-29-17-6-18-30-45/h1-30H,31-39H2/b49-46+,50-47-,51-48+.
What are the key properties of N-benzyl-N-[(E)-[(3E,4Z)-3,4-bis(dibenzylhydrazinylidene)cyclohexylidene]amino]-1-phenylmethanamine?
N-benzyl-N-[(E)-[(3E,4Z)-3,4-bis(dibenzylhydrazinylidene)cyclohexylidene]amino]-1-phenylmethanamine has a molecular weight of 708.95 g/mol, XLogP of 10.35, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(E)-[(3E,4Z)-3,4-bis(dibenzylhydrazinylidene)cyclohexylidene]amino]-1-phenylmethanamine is sourced from PubChem (CID 89455940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).