copper(1+);N-(4-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;bis(triphenylphosphane)

C48H41CuN2P2 — CID 171365143

IUPACcopper(1+);N-(4-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;bis(triphenylphosphane)
SMILESCc1ccc(/N=C/c2ccc[n-]2)cc1.[Cu+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C12H11N2.Cu/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-10-4-6-11(7-5-10)14-9-12-3-2-8-13-12;/h2*1-15H;2-9H,1H3;/q;;-1;+1/b;;14-9+;
InChIKeyQWBMUMDCTHOPNH-GLKPFBITSA-N
MW771.36 g/mol
LogP9.59
Rot. Bonds8

About copper(1+);N-(4-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;bis(triphenylphosphane)

copper(1+);N-(4-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;bis(triphenylphosphane) (PubChem CID 171365143) has the molecular formula C48H41CuN2P2 and a molecular weight of 771.36 g/mol. Its IUPAC name is copper(1+);N-(4-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;bis(triphenylphosphane).

Molecular Properties

Compound Namecopper(1+);N-(4-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;bis(triphenylphosphane)
PubChem CID171365143
Molecular FormulaC48H41CuN2P2
Molecular Weight771.36 g/mol
Exact Mass770.20
IUPAC Namecopper(1+);N-(4-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;bis(triphenylphosphane)
SMILESCc1ccc(/N=C/c2ccc[n-]2)cc1.[Cu+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C12H11N2.Cu/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-10-4-6-11(7-5-10)14-9-12-3-2-8-13-12;/h2*1-15H;2-9H,1H3;/q;;-1;+1/b;;14-9+;
InChIKeyQWBMUMDCTHOPNH-GLKPFBITSA-N
XLogP9.59
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.36
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)-1-pyrrol-1-id-2-ylmethanimine;copper(1+);(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane
CID 171365133
(4-methylphenyl)-[4-[(4-methylphenyl)-phenylphosphanyl]phenyl]-phenylphosphane
CID 141372825
chromium;1-pyrrol-1-id-2-yl-N-[4-(trifluoromethyl)phenyl]methanimine
CID 23578453
bis(N-methyl-1-pyrrol-1-id-2-ylmethanimine);platinum(2+)
CID 59254140
2-[(4-methylphenyl)iminomethyl]phenolate
CID 140586343
1-(4-methylphenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]methanimine
CID 102429934
N,1-bis(4-methylphenyl)methanimine
CID 525721
N-(4-methylphenyl)-1-[4-[(4-methylphenyl)iminomethyl]phenyl]methanimine
CID 1284722
ethane;triphenylphosphane
CID 90942156
copper(1+);triphenylphosphane;bromide
CID 87491658
triphenylphosphane
CID 139056248
dichloroiron;1-[5-[(4-methylphenyl)iminomethyl]furan-2-yl]-N-phenylmethanimine
CID 20702065

Frequently Asked Questions

What is the IUPAC name of copper(1+);N-(4-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;bis(triphenylphosphane)?
The IUPAC name of copper(1+);N-(4-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;bis(triphenylphosphane) (CID 171365143) is copper(1+);N-(4-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;bis(triphenylphosphane).
What is the SMILES notation for copper(1+);N-(4-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;bis(triphenylphosphane)?
The canonical SMILES for copper(1+);N-(4-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;bis(triphenylphosphane) is Cc1ccc(/N=C/c2ccc[n-]2)cc1.[Cu+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of copper(1+);N-(4-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;bis(triphenylphosphane)?
The InChIKey is QWBMUMDCTHOPNH-GLKPFBITSA-N. The full InChI is InChI=1S/2C18H15P.C12H11N2.Cu/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-10-4-6-11(7-5-10)14-9-12-3-2-8-13-12;/h2*1-15H;2-9H,1H3;/q;;-1;+1/b;;14-9+;.
What are the key properties of copper(1+);N-(4-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;bis(triphenylphosphane)?
copper(1+);N-(4-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;bis(triphenylphosphane) has a molecular weight of 771.36 g/mol, XLogP of 9.59, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);N-(4-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;bis(triphenylphosphane) is sourced from PubChem (CID 171365143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).