N-benzyl-N-[(E)-[(3Z,4E)-3,4-bis(dibenzylhydrazinylidene)hexan-2-ylidene]amino]-1-phenylmethanamine

C48H50N6 — CID 89456137

IUPACN-benzyl-N-[(E)-[(3Z,4E)-3,4-bis(dibenzylhydrazinylidene)hexan-2-ylidene]amino]-1-phenylmethanamine
SMILESCCC(=N\N(Cc1ccccc1)Cc1ccccc1)/C(=N\N(Cc1ccccc1)Cc1ccccc1)C(/C)=N/N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C48H50N6/c1-3-47(50-53(36-43-26-14-6-15-27-43)37-44-28-16-7-17-29-44)48(51-54(38-45-30-18-8-19-31-45)39-46-32-20-9-21-33-46)40(2)49-52(34-41-22-10-4-11-23-41)35-42-24-12-5-13-25-42/h4-33H,3,34-39H2,1-2H3/b49-40+,50-47+,51-48-
InChIKeyCPJLGUTYAQYKIH-COTNYPOTSA-N
MW710.97 g/mol
LogP10.59
Rot. Bonds18

About N-benzyl-N-[(E)-[(3Z,4E)-3,4-bis(dibenzylhydrazinylidene)hexan-2-ylidene]amino]-1-phenylmethanamine

N-benzyl-N-[(E)-[(3Z,4E)-3,4-bis(dibenzylhydrazinylidene)hexan-2-ylidene]amino]-1-phenylmethanamine (PubChem CID 89456137) has the molecular formula C48H50N6 and a molecular weight of 710.97 g/mol. Its IUPAC name is N-benzyl-N-[(E)-[(3Z,4E)-3,4-bis(dibenzylhydrazinylidene)hexan-2-ylidene]amino]-1-phenylmethanamine.

Molecular Properties

Compound NameN-benzyl-N-[(E)-[(3Z,4E)-3,4-bis(dibenzylhydrazinylidene)hexan-2-ylidene]amino]-1-phenylmethanamine
PubChem CID89456137
Molecular FormulaC48H50N6
Molecular Weight710.97 g/mol
Exact Mass710.41
IUPAC NameN-benzyl-N-[(E)-[(3Z,4E)-3,4-bis(dibenzylhydrazinylidene)hexan-2-ylidene]amino]-1-phenylmethanamine
SMILESCCC(=N\N(Cc1ccccc1)Cc1ccccc1)/C(=N\N(Cc1ccccc1)Cc1ccccc1)C(/C)=N/N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C48H50N6/c1-3-47(50-53(36-43-26-14-6-15-27-43)37-44-28-16-7-17-29-44)48(51-54(38-45-30-18-8-19-31-45)39-46-32-20-9-21-33-46)40(2)49-52(34-41-22-10-4-11-23-41)35-42-24-12-5-13-25-42/h4-33H,3,34-39H2,1-2H3/b49-40+,50-47+,51-48-
InChIKeyCPJLGUTYAQYKIH-COTNYPOTSA-N
XLogP10.59
TPSA46.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.97
LogP ≤ 510.59
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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Related Compounds

N-benzyl-N-[4-(dibenzylhydrazinylidene)pentan-2-ylideneamino]-1-phenylmethanamine
CID 123599091
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CID 89456201
CID 101396713
CID 101396713
5-[(Z)-N-(dibenzylamino)-C-methylcarbonimidoyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 172942191
4-[benzyl(methyl)hydrazinylidene]pentan-2-one
CID 140633095
2-[2-[benzyl(methyl)amino]ethyl]phenol
CID 70480829
N-[1-[benzyl(2-hydroxyiminopropyl)amino]propan-2-ylidene]hydroxylamine
CID 71426108
(NZ)-N-[1-[benzyl-[(2Z)-2-hydroxyiminopropyl]amino]propan-2-ylidene]hydroxylamine
CID 134858396
N-benzyl-N-[(E)-[(3Z)-3-(dibenzylhydrazinylidene)propylidene]amino]-1-phenylmethanamine
CID 89455970
3-[benzyl(methyl)amino]oxy-2-methylpent-2-enoic acid
CID 154180971
N-benzyl-N-(2-hydroxypropyl)nitrous amide
CID 12684762
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(E)-[(3Z,4E)-3,4-bis(dibenzylhydrazinylidene)hexan-2-ylidene]amino]-1-phenylmethanamine?
The IUPAC name of N-benzyl-N-[(E)-[(3Z,4E)-3,4-bis(dibenzylhydrazinylidene)hexan-2-ylidene]amino]-1-phenylmethanamine (CID 89456137) is N-benzyl-N-[(E)-[(3Z,4E)-3,4-bis(dibenzylhydrazinylidene)hexan-2-ylidene]amino]-1-phenylmethanamine.
What is the SMILES notation for N-benzyl-N-[(E)-[(3Z,4E)-3,4-bis(dibenzylhydrazinylidene)hexan-2-ylidene]amino]-1-phenylmethanamine?
The canonical SMILES for N-benzyl-N-[(E)-[(3Z,4E)-3,4-bis(dibenzylhydrazinylidene)hexan-2-ylidene]amino]-1-phenylmethanamine is CCC(=N\N(Cc1ccccc1)Cc1ccccc1)/C(=N\N(Cc1ccccc1)Cc1ccccc1)C(/C)=N/N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[(E)-[(3Z,4E)-3,4-bis(dibenzylhydrazinylidene)hexan-2-ylidene]amino]-1-phenylmethanamine?
The InChIKey is CPJLGUTYAQYKIH-COTNYPOTSA-N. The full InChI is InChI=1S/C48H50N6/c1-3-47(50-53(36-43-26-14-6-15-27-43)37-44-28-16-7-17-29-44)48(51-54(38-45-30-18-8-19-31-45)39-46-32-20-9-21-33-46)40(2)49-52(34-41-22-10-4-11-23-41)35-42-24-12-5-13-25-42/h4-33H,3,34-39H2,1-2H3/b49-40+,50-47+,51-48-.
What are the key properties of N-benzyl-N-[(E)-[(3Z,4E)-3,4-bis(dibenzylhydrazinylidene)hexan-2-ylidene]amino]-1-phenylmethanamine?
N-benzyl-N-[(E)-[(3Z,4E)-3,4-bis(dibenzylhydrazinylidene)hexan-2-ylidene]amino]-1-phenylmethanamine has a molecular weight of 710.97 g/mol, XLogP of 10.59, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(E)-[(3Z,4E)-3,4-bis(dibenzylhydrazinylidene)hexan-2-ylidene]amino]-1-phenylmethanamine is sourced from PubChem (CID 89456137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).