bis(copper(1+));cyclopentene;[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]-[6-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanidyl-2-pyridinyl]azanide;ethoxyethane

C53H77Cu2N5O — CID 139170020

IUPACbis(copper(1+));cyclopentene;[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]-[6-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanidyl-2-pyridinyl]azanide;ethoxyethane
SMILESC/C(=C/C(C)=N/c1c(C(C)C)cccc1C(C)C)[N-]c1cccc([N-]/C(C)=C\C(C)=N\c2c(C(C)C)cccc2C(C)C)n1.C1=CCCC1.C1=CCCC1.CCOCC.[Cu+].[Cu+]
InChIInChI=1S/C39H51N5.2C5H8.C4H10O.2Cu/c1-24(2)32-16-13-17-33(25(3)4)38(32)42-30(11)22-28(9)40-36-20-15-21-37(44-36)41-29(10)23-31(12)43-39-34(26(5)6)18-14-19-35(39)27(7)8;2*1-2-4-5-3-1;1-3-5-4-2;;/h13-27H,1-12H3;2*1-2H,3-5H2;3-4H2,1-2H3;;/q-2;;;;2*+1/b28-22-,29-23-,42-30+,43-31+;;;;;
InChIKeyQJYNEXRLRSNXNG-ZRKLZPCKSA-N
MW927.32 g/mol
LogP17.47
Rot. Bonds14

About bis(copper(1+));cyclopentene;[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]-[6-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanidyl-2-pyridinyl]azanide;ethoxyethane

bis(copper(1+));cyclopentene;[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]-[6-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanidyl-2-pyridinyl]azanide;ethoxyethane (PubChem CID 139170020) has the molecular formula C53H77Cu2N5O and a molecular weight of 927.32 g/mol. Its IUPAC name is bis(copper(1+));cyclopentene;[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]-[6-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanidyl-2-pyridinyl]azanide;ethoxyethane.

Molecular Properties

Compound Namebis(copper(1+));cyclopentene;[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]-[6-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanidyl-2-pyridinyl]azanide;ethoxyethane
PubChem CID139170020
Molecular FormulaC53H77Cu2N5O
Molecular Weight927.32 g/mol
Exact Mass925.47
IUPAC Namebis(copper(1+));cyclopentene;[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]-[6-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanidyl-2-pyridinyl]azanide;ethoxyethane
SMILESC/C(=C/C(C)=N/c1c(C(C)C)cccc1C(C)C)[N-]c1cccc([N-]/C(C)=C\C(C)=N\c2c(C(C)C)cccc2C(C)C)n1.C1=CCCC1.C1=CCCC1.CCOCC.[Cu+].[Cu+]
InChIInChI=1S/C39H51N5.2C5H8.C4H10O.2Cu/c1-24(2)32-16-13-17-33(25(3)4)38(32)42-30(11)22-28(9)40-36-20-15-21-37(44-36)41-29(10)23-31(12)43-39-34(26(5)6)18-14-19-35(39)27(7)8;2*1-2-4-5-3-1;1-3-5-4-2;;/h13-27H,1-12H3;2*1-2H,3-5H2;3-4H2,1-2H3;;/q-2;;;;2*+1/b28-22-,29-23-,42-30+,43-31+;;;;;
InChIKeyQJYNEXRLRSNXNG-ZRKLZPCKSA-N
XLogP17.47
TPSA75.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500927.32
LogP ≤ 517.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(copper(1+));cyclopentene;[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]-[6-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanidyl-2-pyridinyl]azanide;ethoxyethane?
The IUPAC name of bis(copper(1+));cyclopentene;[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]-[6-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanidyl-2-pyridinyl]azanide;ethoxyethane (CID 139170020) is bis(copper(1+));cyclopentene;[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]-[6-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanidyl-2-pyridinyl]azanide;ethoxyethane.
What is the SMILES notation for bis(copper(1+));cyclopentene;[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]-[6-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanidyl-2-pyridinyl]azanide;ethoxyethane?
The canonical SMILES for bis(copper(1+));cyclopentene;[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]-[6-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanidyl-2-pyridinyl]azanide;ethoxyethane is C/C(=C/C(C)=N/c1c(C(C)C)cccc1C(C)C)[N-]c1cccc([N-]/C(C)=C\C(C)=N\c2c(C(C)C)cccc2C(C)C)n1.C1=CCCC1.C1=CCCC1.CCOCC.[Cu+].[Cu+].
What is the InChIKey of bis(copper(1+));cyclopentene;[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]-[6-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanidyl-2-pyridinyl]azanide;ethoxyethane?
The InChIKey is QJYNEXRLRSNXNG-ZRKLZPCKSA-N. The full InChI is InChI=1S/C39H51N5.2C5H8.C4H10O.2Cu/c1-24(2)32-16-13-17-33(25(3)4)38(32)42-30(11)22-28(9)40-36-20-15-21-37(44-36)41-29(10)23-31(12)43-39-34(26(5)6)18-14-19-35(39)27(7)8;2*1-2-4-5-3-1;1-3-5-4-2;;/h13-27H,1-12H3;2*1-2H,3-5H2;3-4H2,1-2H3;;/q-2;;;;2*+1/b28-22-,29-23-,42-30+,43-31+;;;;;.
What are the key properties of bis(copper(1+));cyclopentene;[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]-[6-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanidyl-2-pyridinyl]azanide;ethoxyethane?
bis(copper(1+));cyclopentene;[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]-[6-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanidyl-2-pyridinyl]azanide;ethoxyethane has a molecular weight of 927.32 g/mol, XLogP of 17.47, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(copper(1+));cyclopentene;[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]-[6-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanidyl-2-pyridinyl]azanide;ethoxyethane is sourced from PubChem (CID 139170020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).