copper;2-(2,6-dibenzhydryl-4-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-3H-imidazo[1,5-a]pyridin-3-ide;chloride

C55H55ClCuN2 — CID 174057894

IUPACcopper;2-(2,6-dibenzhydryl-4-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-3H-imidazo[1,5-a]pyridin-3-ide;chloride
SMILESCc1cc(C(c2ccccc2)c2ccccc2)c(N2C=C3C=CC=C(c4c(C(C)C)cc(C(C)C)cc4C(C)C)N3[CH-]2)c(C(c2ccccc2)c2ccccc2)c1.[Cl-].[Cu+2]
InChIInChI=1S/C55H55N2.ClH.Cu/c1-37(2)45-33-47(38(3)4)54(48(34-45)39(5)6)51-30-20-29-46-35-56(36-57(46)51)55-49(52(41-21-12-8-13-22-41)42-23-14-9-15-24-42)31-40(7)32-50(55)53(43-25-16-10-17-26-43)44-27-18-11-19-28-44;;/h8-39,52-53H,1-7H3;1H;/q-1;;+2/p-1
InChIKeyJRYSSLNXPIHTFU-UHFFFAOYSA-M
MW843.06 g/mol
LogP11.42
Rot. Bonds11

About copper;2-(2,6-dibenzhydryl-4-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-3H-imidazo[1,5-a]pyridin-3-ide;chloride

copper;2-(2,6-dibenzhydryl-4-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-3H-imidazo[1,5-a]pyridin-3-ide;chloride (PubChem CID 174057894) has the molecular formula C55H55ClCuN2 and a molecular weight of 843.06 g/mol. Its IUPAC name is copper;2-(2,6-dibenzhydryl-4-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-3H-imidazo[1,5-a]pyridin-3-ide;chloride.

Molecular Properties

Compound Namecopper;2-(2,6-dibenzhydryl-4-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-3H-imidazo[1,5-a]pyridin-3-ide;chloride
PubChem CID174057894
Molecular FormulaC55H55ClCuN2
Molecular Weight843.06 g/mol
Exact Mass841.33
IUPAC Namecopper;2-(2,6-dibenzhydryl-4-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-3H-imidazo[1,5-a]pyridin-3-ide;chloride
SMILESCc1cc(C(c2ccccc2)c2ccccc2)c(N2C=C3C=CC=C(c4c(C(C)C)cc(C(C)C)cc4C(C)C)N3[CH-]2)c(C(c2ccccc2)c2ccccc2)c1.[Cl-].[Cu+2]
InChIInChI=1S/C55H55N2.ClH.Cu/c1-37(2)45-33-47(38(3)4)54(48(34-45)39(5)6)51-30-20-29-46-35-56(36-57(46)51)55-49(52(41-21-12-8-13-22-41)42-23-14-9-15-24-42)31-40(7)32-50(55)53(43-25-16-10-17-26-43)44-27-18-11-19-28-44;;/h8-39,52-53H,1-7H3;1H;/q-1;;+2/p-1
InChIKeyJRYSSLNXPIHTFU-UHFFFAOYSA-M
XLogP11.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.06
LogP ≤ 511.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of copper;2-(2,6-dibenzhydryl-4-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-3H-imidazo[1,5-a]pyridin-3-ide;chloride?
The IUPAC name of copper;2-(2,6-dibenzhydryl-4-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-3H-imidazo[1,5-a]pyridin-3-ide;chloride (CID 174057894) is copper;2-(2,6-dibenzhydryl-4-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-3H-imidazo[1,5-a]pyridin-3-ide;chloride.
What is the SMILES notation for copper;2-(2,6-dibenzhydryl-4-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-3H-imidazo[1,5-a]pyridin-3-ide;chloride?
The canonical SMILES for copper;2-(2,6-dibenzhydryl-4-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-3H-imidazo[1,5-a]pyridin-3-ide;chloride is Cc1cc(C(c2ccccc2)c2ccccc2)c(N2C=C3C=CC=C(c4c(C(C)C)cc(C(C)C)cc4C(C)C)N3[CH-]2)c(C(c2ccccc2)c2ccccc2)c1.[Cl-].[Cu+2].
What is the InChIKey of copper;2-(2,6-dibenzhydryl-4-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-3H-imidazo[1,5-a]pyridin-3-ide;chloride?
The InChIKey is JRYSSLNXPIHTFU-UHFFFAOYSA-M. The full InChI is InChI=1S/C55H55N2.ClH.Cu/c1-37(2)45-33-47(38(3)4)54(48(34-45)39(5)6)51-30-20-29-46-35-56(36-57(46)51)55-49(52(41-21-12-8-13-22-41)42-23-14-9-15-24-42)31-40(7)32-50(55)53(43-25-16-10-17-26-43)44-27-18-11-19-28-44;;/h8-39,52-53H,1-7H3;1H;/q-1;;+2/p-1.
What are the key properties of copper;2-(2,6-dibenzhydryl-4-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-3H-imidazo[1,5-a]pyridin-3-ide;chloride?
copper;2-(2,6-dibenzhydryl-4-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-3H-imidazo[1,5-a]pyridin-3-ide;chloride has a molecular weight of 843.06 g/mol, XLogP of 11.42, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2-(2,6-dibenzhydryl-4-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-3H-imidazo[1,5-a]pyridin-3-ide;chloride is sourced from PubChem (CID 174057894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).