1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;copper(1+);[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]phosphane

C48H54CuN2OP — CID 162415207

IUPAC1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;copper(1+);[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]phosphane
SMILESCC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)[CH-]1.COc1ccc2ccccc2c1-c1c(P)ccc2ccccc12.[Cu+]
InChIInChI=1S/C27H37N2.C21H17OP.Cu/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;1-22-18-12-10-14-6-2-4-8-16(14)20(18)21-17-9-5-3-7-15(17)11-13-19(21)23;/h9-21H,1-8H3;2-13H,23H2,1H3;/q-1;;+1
InChIKeyPCTUJCQIGANZRT-UHFFFAOYSA-N
MW769.49 g/mol
LogP13.26
Rot. Bonds8

About 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;copper(1+);[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]phosphane

1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;copper(1+);[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]phosphane (PubChem CID 162415207) has the molecular formula C48H54CuN2OP and a molecular weight of 769.49 g/mol. Its IUPAC name is 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;copper(1+);[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]phosphane.

Molecular Properties

Compound Name1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;copper(1+);[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]phosphane
PubChem CID162415207
Molecular FormulaC48H54CuN2OP
Molecular Weight769.49 g/mol
Exact Mass768.33
IUPAC Name1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;copper(1+);[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]phosphane
SMILESCC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)[CH-]1.COc1ccc2ccccc2c1-c1c(P)ccc2ccccc12.[Cu+]
InChIInChI=1S/C27H37N2.C21H17OP.Cu/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;1-22-18-12-10-14-6-2-4-8-16(14)20(18)21-17-9-5-3-7-15(17)11-13-19(21)23;/h9-21H,1-8H3;2-13H,23H2,1H3;/q-1;;+1
InChIKeyPCTUJCQIGANZRT-UHFFFAOYSA-N
XLogP13.26
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.49
LogP ≤ 513.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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copper;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;phenylazanide
CID 177476772
barium(2+);bis(1-(2-methoxynaphthalen-1-yl)naphthalen-2-olate)
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2-methoxy-1-[2-(2-methoxynaphthalen-1-yl)-3,4,5,6-tetraphenylphenyl]naphthalene
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4-(2-methoxynaphthalen-1-yl)-5-naphthalen-1-yl-1,3,6,8-tetrahydrofuro[3,4-e][2]benzofuran
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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;copper(1+);[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]phosphane?
The IUPAC name of 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;copper(1+);[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]phosphane (CID 162415207) is 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;copper(1+);[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]phosphane.
What is the SMILES notation for 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;copper(1+);[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]phosphane?
The canonical SMILES for 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;copper(1+);[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]phosphane is CC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)[CH-]1.COc1ccc2ccccc2c1-c1c(P)ccc2ccccc12.[Cu+].
What is the InChIKey of 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;copper(1+);[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]phosphane?
The InChIKey is PCTUJCQIGANZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N2.C21H17OP.Cu/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;1-22-18-12-10-14-6-2-4-8-16(14)20(18)21-17-9-5-3-7-15(17)11-13-19(21)23;/h9-21H,1-8H3;2-13H,23H2,1H3;/q-1;;+1.
What are the key properties of 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;copper(1+);[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]phosphane?
1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;copper(1+);[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]phosphane has a molecular weight of 769.49 g/mol, XLogP of 13.26, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;copper(1+);[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]phosphane is sourced from PubChem (CID 162415207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).