[1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethylimidazol-2-ylidene]copper

C29H40CuN2 — CID 177472224

IUPAC[1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethylimidazol-2-ylidene]copper
SMILESCc1c(C)n(-c2c(C(C)C)cccc2C(C)C)c(=[Cu])n1-c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C29H40N2.Cu/c1-18(2)24-13-11-14-25(19(3)4)28(24)30-17-31(23(10)22(30)9)29-26(20(5)6)15-12-16-27(29)21(7)8;/h11-16,18-21H,1-10H3;
InChIKeyGXPIGZFMXJQHHS-UHFFFAOYSA-N
MW480.20 g/mol
LogP8.46
Rot. Bonds6

About [1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethylimidazol-2-ylidene]copper

[1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethylimidazol-2-ylidene]copper (PubChem CID 177472224) has the molecular formula C29H40CuN2 and a molecular weight of 480.20 g/mol. Its IUPAC name is [1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethylimidazol-2-ylidene]copper.

Molecular Properties

Compound Name[1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethylimidazol-2-ylidene]copper
PubChem CID177472224
Molecular FormulaC29H40CuN2
Molecular Weight480.20 g/mol
Exact Mass479.25
IUPAC Name[1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethylimidazol-2-ylidene]copper
SMILESCc1c(C)n(-c2c(C(C)C)cccc2C(C)C)c(=[Cu])n1-c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C29H40N2.Cu/c1-18(2)24-13-11-14-25(19(3)4)28(24)30-17-31(23(10)22(30)9)29-26(20(5)6)15-12-16-27(29)21(7)8;/h11-16,18-21H,1-10H3;
InChIKeyGXPIGZFMXJQHHS-UHFFFAOYSA-N
XLogP8.46
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.20
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4,7-tris[2,6-di(propan-2-yl)phenyl]-1,4,7-triazonane
CID 20681040
1,3,5-tris[2,6-di(propan-2-yl)phenyl]-2,4,6-trimethyl-1,3,5,2,4,6-triazatrialuminane
CID 16714946
1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-2H-imidazole
CID 59439597
(2E)-3-[2,6-di(propan-2-yl)phenyl]-2-[3-[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-1,3-thiazol-2-ylidene]-4,5-dimethyl-1,3-thiazole
CID 15319782
1,3-bis[2,6-di(propan-2-yl)phenyl]-2,4-disulfido-1,3,2,4-diazadiphosphetidine-2,4-diium
CID 122202965
1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-triazole
CID 67468757
CID 177393324
CID 177393324
3-(2,6-dimethylphenyl)-4-[2,6-di(propan-2-yl)phenyl]-5-phenyl-1,2,4-triazole
CID 90190715
2,4,6-trichloro-1,3,5-tris[2,6-di(propan-2-yl)phenyl]-1,3,5,2,4,6-triazatriphosphinane-2,4,6-triium
CID 101370288
1-[2,6-di(propan-2-yl)phenyl]-2,5-dithiophen-2-ylpyrrole
CID 102441175
1-[2,6-di(propan-2-yl)phenyl]-3-methyl-1,2,4-triazole
CID 134965969
1-[2,6-di(propan-2-yl)phenyl]piperidine
CID 10634131

Frequently Asked Questions

What is the IUPAC name of [1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethylimidazol-2-ylidene]copper?
The IUPAC name of [1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethylimidazol-2-ylidene]copper (CID 177472224) is [1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethylimidazol-2-ylidene]copper.
What is the SMILES notation for [1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethylimidazol-2-ylidene]copper?
The canonical SMILES for [1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethylimidazol-2-ylidene]copper is Cc1c(C)n(-c2c(C(C)C)cccc2C(C)C)c(=[Cu])n1-c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of [1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethylimidazol-2-ylidene]copper?
The InChIKey is GXPIGZFMXJQHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N2.Cu/c1-18(2)24-13-11-14-25(19(3)4)28(24)30-17-31(23(10)22(30)9)29-26(20(5)6)15-12-16-27(29)21(7)8;/h11-16,18-21H,1-10H3;.
What are the key properties of [1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethylimidazol-2-ylidene]copper?
[1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethylimidazol-2-ylidene]copper has a molecular weight of 480.20 g/mol, XLogP of 8.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethylimidazol-2-ylidene]copper is sourced from PubChem (CID 177472224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).