copper bis([1-(4-bromophenyl)-3-(4-methylphenyl)iminoprop-1-enyl]-(4-methylphenyl)azanide)

C46H40Br2CuN4 — CID 3736141

IUPACcopper bis([1-(4-bromophenyl)-3-(4-methylphenyl)iminoprop-1-enyl]-(4-methylphenyl)azanide)
SMILESCc1ccc(/N=C/C=C([N-]c2ccc(C)cc2)c2ccc(Br)cc2)cc1.Cc1ccc(/N=C/C=C([N-]c2ccc(C)cc2)c2ccc(Br)cc2)cc1.[Cu+2]
InChIInChI=1S/2C23H20BrN2.Cu/c2*1-17-3-11-21(12-4-17)25-16-15-23(19-7-9-20(24)10-8-19)26-22-13-5-18(2)6-14-22;/h2*3-16H,1-2H3;/q2*-1;+2/b2*23-15?,25-16+;
InChIKeyWTRVJUYARNAQHP-MYXHWZOUSA-N
MW872.21 g/mol
LogP15.03
Rot. Bonds10

About copper bis([1-(4-bromophenyl)-3-(4-methylphenyl)iminoprop-1-enyl]-(4-methylphenyl)azanide)

copper bis([1-(4-bromophenyl)-3-(4-methylphenyl)iminoprop-1-enyl]-(4-methylphenyl)azanide) (PubChem CID 3736141) has the molecular formula C46H40Br2CuN4 and a molecular weight of 872.21 g/mol. Its IUPAC name is copper bis([1-(4-bromophenyl)-3-(4-methylphenyl)iminoprop-1-enyl]-(4-methylphenyl)azanide).

Molecular Properties

Compound Namecopper bis([1-(4-bromophenyl)-3-(4-methylphenyl)iminoprop-1-enyl]-(4-methylphenyl)azanide)
PubChem CID3736141
Molecular FormulaC46H40Br2CuN4
Molecular Weight872.21 g/mol
Exact Mass869.09
IUPAC Namecopper bis([1-(4-bromophenyl)-3-(4-methylphenyl)iminoprop-1-enyl]-(4-methylphenyl)azanide)
SMILESCc1ccc(/N=C/C=C([N-]c2ccc(C)cc2)c2ccc(Br)cc2)cc1.Cc1ccc(/N=C/C=C([N-]c2ccc(C)cc2)c2ccc(Br)cc2)cc1.[Cu+2]
InChIInChI=1S/2C23H20BrN2.Cu/c2*1-17-3-11-21(12-4-17)25-16-15-23(19-7-9-20(24)10-8-19)26-22-13-5-18(2)6-14-22;/h2*3-16H,1-2H3;/q2*-1;+2/b2*23-15?,25-16+;
InChIKeyWTRVJUYARNAQHP-MYXHWZOUSA-N
XLogP15.03
TPSA52.92 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500872.21
LogP ≤ 515.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis([(Z)-1-(4-bromophenyl)-3-(4-methylphenyl)iminoprop-1-enyl]-(4-methylphenyl)azanide);cobalt(2+)
CID 44888736
N-(4-bromophenyl)-1-(4-methylphenyl)methanimine
CID 525717
4-bromo-N-[(Z)-1-(4-bromophenyl)-3-(4-bromophenyl)iminoprop-1-enyl]aniline
CID 44888728
4-bromo-N-[1-(4-bromophenyl)-3-(4-bromophenyl)iminoprop-1-enyl]aniline
CID 3760544
CID 164584881
CID 164584881
[4-[(4-methylphenyl)iminomethyl]phenyl] 4-bromobenzoate
CID 102305242
3-(4-methylphenyl)sulfanyl-N,3-bis[4-(trifluoromethyl)phenyl]prop-2-en-1-imine
CID 173118018
N-[1-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]iminoprop-1-enyl]-4-(trifluoromethyl)aniline
CID 2801837
4-bromo-N-[(E)-3-(4-bromophenyl)imino-1-(4-chlorophenyl)prop-1-enyl]aniline
CID 6265594
1-bromo-4-methylbenzene;trihydrofluoride
CID 172815118
tetrakis((4-methylphenyl)-[(4-methylphenyl)iminomethyl]azanide);bis(molybdenum(2+))
CID 11105141
N-(4-methylphenyl)but-2-en-1-imine
CID 71345693

Frequently Asked Questions

What is the IUPAC name of copper bis([1-(4-bromophenyl)-3-(4-methylphenyl)iminoprop-1-enyl]-(4-methylphenyl)azanide)?
The IUPAC name of copper bis([1-(4-bromophenyl)-3-(4-methylphenyl)iminoprop-1-enyl]-(4-methylphenyl)azanide) (CID 3736141) is copper bis([1-(4-bromophenyl)-3-(4-methylphenyl)iminoprop-1-enyl]-(4-methylphenyl)azanide).
What is the SMILES notation for copper bis([1-(4-bromophenyl)-3-(4-methylphenyl)iminoprop-1-enyl]-(4-methylphenyl)azanide)?
The canonical SMILES for copper bis([1-(4-bromophenyl)-3-(4-methylphenyl)iminoprop-1-enyl]-(4-methylphenyl)azanide) is Cc1ccc(/N=C/C=C([N-]c2ccc(C)cc2)c2ccc(Br)cc2)cc1.Cc1ccc(/N=C/C=C([N-]c2ccc(C)cc2)c2ccc(Br)cc2)cc1.[Cu+2].
What is the InChIKey of copper bis([1-(4-bromophenyl)-3-(4-methylphenyl)iminoprop-1-enyl]-(4-methylphenyl)azanide)?
The InChIKey is WTRVJUYARNAQHP-MYXHWZOUSA-N. The full InChI is InChI=1S/2C23H20BrN2.Cu/c2*1-17-3-11-21(12-4-17)25-16-15-23(19-7-9-20(24)10-8-19)26-22-13-5-18(2)6-14-22;/h2*3-16H,1-2H3;/q2*-1;+2/b2*23-15?,25-16+;.
What are the key properties of copper bis([1-(4-bromophenyl)-3-(4-methylphenyl)iminoprop-1-enyl]-(4-methylphenyl)azanide)?
copper bis([1-(4-bromophenyl)-3-(4-methylphenyl)iminoprop-1-enyl]-(4-methylphenyl)azanide) has a molecular weight of 872.21 g/mol, XLogP of 15.03, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis([1-(4-bromophenyl)-3-(4-methylphenyl)iminoprop-1-enyl]-(4-methylphenyl)azanide) is sourced from PubChem (CID 3736141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).