(4Z,6Z)-4-N,7-N-bis(benzhydrylideneamino)-5,6-dipropyldeca-4,6-diene-4,7-diamine

C42H50N4 — CID 139041177

IUPAC(4Z,6Z)-4-N,7-N-bis(benzhydrylideneamino)-5,6-dipropyldeca-4,6-diene-4,7-diamine
SMILESCCC/C(NN=C(c1ccccc1)c1ccccc1)=C(CCC)/C(CCC)=C(/CCC)NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C42H50N4/c1-5-21-37(39(23-7-3)43-45-41(33-25-13-9-14-26-33)34-27-15-10-16-28-34)38(22-6-2)40(24-8-4)44-46-42(35-29-17-11-18-30-35)36-31-19-12-20-32-36/h9-20,25-32,43-44H,5-8,21-24H2,1-4H3/b39-37-,40-38-
InChIKeyLVEDHXXLCXNBCX-YKSAKOAQSA-N
MW610.89 g/mol
LogP10.78
Rot. Bonds17

About (4Z,6Z)-4-N,7-N-bis(benzhydrylideneamino)-5,6-dipropyldeca-4,6-diene-4,7-diamine

(4Z,6Z)-4-N,7-N-bis(benzhydrylideneamino)-5,6-dipropyldeca-4,6-diene-4,7-diamine (PubChem CID 139041177) has the molecular formula C42H50N4 and a molecular weight of 610.89 g/mol. Its IUPAC name is (4Z,6Z)-4-N,7-N-bis(benzhydrylideneamino)-5,6-dipropyldeca-4,6-diene-4,7-diamine.

Molecular Properties

Compound Name(4Z,6Z)-4-N,7-N-bis(benzhydrylideneamino)-5,6-dipropyldeca-4,6-diene-4,7-diamine
PubChem CID139041177
Molecular FormulaC42H50N4
Molecular Weight610.89 g/mol
Exact Mass610.40
IUPAC Name(4Z,6Z)-4-N,7-N-bis(benzhydrylideneamino)-5,6-dipropyldeca-4,6-diene-4,7-diamine
SMILESCCC/C(NN=C(c1ccccc1)c1ccccc1)=C(CCC)/C(CCC)=C(/CCC)NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C42H50N4/c1-5-21-37(39(23-7-3)43-45-41(33-25-13-9-14-26-33)34-27-15-10-16-28-34)38(22-6-2)40(24-8-4)44-46-42(35-29-17-11-18-30-35)36-31-19-12-20-32-36/h9-20,25-32,43-44H,5-8,21-24H2,1-4H3/b39-37-,40-38-
InChIKeyLVEDHXXLCXNBCX-YKSAKOAQSA-N
XLogP10.78
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.89
LogP ≤ 510.78
H-Bond Donors ≤ 52
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (4Z,6Z)-4-N,7-N-bis(benzhydrylideneamino)-5,6-dipropyldeca-4,6-diene-4,7-diamine with MolForge

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Related Compounds

Triphenyl-(2-(N'-(1-phenyl-ethylidene)-hydrazino)-propenyl)-phosphonium, bromide
CID 118798992
1-Tert-butyl-2-(diphenylmethylidene)hydrazine
CID 261875
(E,3Z)-3-[(Z)-[(E)-3-amino-3-cyclohexyl-1-phenylprop-2-enylidene]hydrazinylidene]-1-cyclohexyl-3-phenylprop-1-en-1-amine
CID 134933604
(Z)-N-(benzhydrylideneamino)-1-[2-[(Z)-N-(benzhydrylideneamino)-C-phenylcarbonimidoyl]cyclohexen-1-yl]-1-phenylmethanimine
CID 139041176
Butane-2,3-dione 2,3-bis{[bis(4-methylphenyl)methylidene]hydrazone}
CID 139062813
N-[(Z)-hex-3-en-3-yl]-1,1-diphenylmethanimine
CID 139124078
(Z)-[(2Z)-2-hydrazinylidene-1,2-diphenylethylidene]hydrazine
CID 139195162
triphenyl-[(E)-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]prop-1-enyl]phosphanium
CID 6019159
3,4,6-Triphenyl-2,5-dihydropyridazine
CID 421875
N,N'-bis(benzhydrylideneamino)methanimidamide
CID 14507970
N-(benzhydrylideneamino)cyclohexen-1-amine
CID 2343356
7-Methyl-5-methylidene-3-phenyl-1,4,6,8-tetrahydrocinnolin-7-ide;tungsten
CID 57759024

Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-4-N,7-N-bis(benzhydrylideneamino)-5,6-dipropyldeca-4,6-diene-4,7-diamine?
The IUPAC name of (4Z,6Z)-4-N,7-N-bis(benzhydrylideneamino)-5,6-dipropyldeca-4,6-diene-4,7-diamine (CID 139041177) is (4Z,6Z)-4-N,7-N-bis(benzhydrylideneamino)-5,6-dipropyldeca-4,6-diene-4,7-diamine.
What is the SMILES notation for (4Z,6Z)-4-N,7-N-bis(benzhydrylideneamino)-5,6-dipropyldeca-4,6-diene-4,7-diamine?
The canonical SMILES for (4Z,6Z)-4-N,7-N-bis(benzhydrylideneamino)-5,6-dipropyldeca-4,6-diene-4,7-diamine is CCC/C(NN=C(c1ccccc1)c1ccccc1)=C(CCC)/C(CCC)=C(/CCC)NN=C(c1ccccc1)c1ccccc1.
What is the InChIKey of (4Z,6Z)-4-N,7-N-bis(benzhydrylideneamino)-5,6-dipropyldeca-4,6-diene-4,7-diamine?
The InChIKey is LVEDHXXLCXNBCX-YKSAKOAQSA-N. The full InChI is InChI=1S/C42H50N4/c1-5-21-37(39(23-7-3)43-45-41(33-25-13-9-14-26-33)34-27-15-10-16-28-34)38(22-6-2)40(24-8-4)44-46-42(35-29-17-11-18-30-35)36-31-19-12-20-32-36/h9-20,25-32,43-44H,5-8,21-24H2,1-4H3/b39-37-,40-38-.
What are the key properties of (4Z,6Z)-4-N,7-N-bis(benzhydrylideneamino)-5,6-dipropyldeca-4,6-diene-4,7-diamine?
(4Z,6Z)-4-N,7-N-bis(benzhydrylideneamino)-5,6-dipropyldeca-4,6-diene-4,7-diamine has a molecular weight of 610.89 g/mol, XLogP of 10.78, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-4-N,7-N-bis(benzhydrylideneamino)-5,6-dipropyldeca-4,6-diene-4,7-diamine is sourced from PubChem (CID 139041177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).