2-(2,6-dibenzhydryl-4-methylphenyl)-5-(2,4,6-trimethylphenyl)-3H-imidazo[1,5-a]pyridin-3-ide;gold(1+);chloride

C49H43AuClN2- — CID 174057934

IUPAC2-(2,6-dibenzhydryl-4-methylphenyl)-5-(2,4,6-trimethylphenyl)-3H-imidazo[1,5-a]pyridin-3-ide;gold(1+);chloride
SMILESCc1cc(C)c(C2=CC=CC3=CN(c4c(C(c5ccccc5)c5ccccc5)cc(C)cc4C(c4ccccc4)c4ccccc4)[CH-]N32)c(C)c1.[Au+].[Cl-]
InChIInChI=1S/C49H43N2.Au.ClH/c1-34-28-36(3)46(37(4)29-34)45-27-17-26-42-32-50(33-51(42)45)49-43(47(38-18-9-5-10-19-38)39-20-11-6-12-21-39)30-35(2)31-44(49)48(40-22-13-7-14-23-40)41-24-15-8-16-25-41;;/h5-33,47-48H,1-4H3;;1H/q-1;+1;/p-1
InChIKeyZVPOAMREQVTGPX-UHFFFAOYSA-M
MW892.32 g/mol
LogP8.98
Rot. Bonds8

About 2-(2,6-dibenzhydryl-4-methylphenyl)-5-(2,4,6-trimethylphenyl)-3H-imidazo[1,5-a]pyridin-3-ide;gold(1+);chloride

2-(2,6-dibenzhydryl-4-methylphenyl)-5-(2,4,6-trimethylphenyl)-3H-imidazo[1,5-a]pyridin-3-ide;gold(1+);chloride (PubChem CID 174057934) has the molecular formula C49H43AuClN2- and a molecular weight of 892.32 g/mol. Its IUPAC name is 2-(2,6-dibenzhydryl-4-methylphenyl)-5-(2,4,6-trimethylphenyl)-3H-imidazo[1,5-a]pyridin-3-ide;gold(1+);chloride.

Molecular Properties

Compound Name2-(2,6-dibenzhydryl-4-methylphenyl)-5-(2,4,6-trimethylphenyl)-3H-imidazo[1,5-a]pyridin-3-ide;gold(1+);chloride
PubChem CID174057934
Molecular FormulaC49H43AuClN2-
Molecular Weight892.32 g/mol
Exact Mass891.28
IUPAC Name2-(2,6-dibenzhydryl-4-methylphenyl)-5-(2,4,6-trimethylphenyl)-3H-imidazo[1,5-a]pyridin-3-ide;gold(1+);chloride
SMILESCc1cc(C)c(C2=CC=CC3=CN(c4c(C(c5ccccc5)c5ccccc5)cc(C)cc4C(c4ccccc4)c4ccccc4)[CH-]N32)c(C)c1.[Au+].[Cl-]
InChIInChI=1S/C49H43N2.Au.ClH/c1-34-28-36(3)46(37(4)29-34)45-27-17-26-42-32-50(33-51(42)45)49-43(47(38-18-9-5-10-19-38)39-20-11-6-12-21-39)30-35(2)31-44(49)48(40-22-13-7-14-23-40)41-24-15-8-16-25-41;;/h5-33,47-48H,1-4H3;;1H/q-1;+1;/p-1
InChIKeyZVPOAMREQVTGPX-UHFFFAOYSA-M
XLogP8.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500892.32
LogP ≤ 58.98
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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Related Compounds

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
1,3-bis(2-benzhydryl-4,6-dimethylphenyl)imidazol-1-ium
CID 132596566
2,4-dimethyl-1-[(4-methylphenyl)-phenylmethyl]benzene
CID 22389703
1-(2,6-dibenzhydryl-4-methoxyphenyl)-3-(2,6-dibenzhydryl-4-methylphenyl)-2H-imidazole
CID 158181373
chlorocopper(1+);2-(2,4,6-trimethylphenyl)-3H-imidazo[1,5-a]pyridin-3-ide
CID 135084953
chlorogold;N,N-dimethyl-2-(2,4,6-trimethylphenyl)-1H-imidazo[1,5-a]quinolin-1-id-9-amine
CID 172516514
CID 166445578
CID 166445578
(S)-(2-amino-3,5-dimethylphenyl)-phenylmethanol
CID 799505
2,6-dibenzhydryl-N-(2,6-dibenzhydryl-4-methylphenyl)-4-methyl-N-trimethylsilylaniline
CID 102191993
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CID 23156103
1-[(3,4-dimethylphenyl)-phenylmethyl]-2,4-dimethylbenzene
CID 54025745

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibenzhydryl-4-methylphenyl)-5-(2,4,6-trimethylphenyl)-3H-imidazo[1,5-a]pyridin-3-ide;gold(1+);chloride?
The IUPAC name of 2-(2,6-dibenzhydryl-4-methylphenyl)-5-(2,4,6-trimethylphenyl)-3H-imidazo[1,5-a]pyridin-3-ide;gold(1+);chloride (CID 174057934) is 2-(2,6-dibenzhydryl-4-methylphenyl)-5-(2,4,6-trimethylphenyl)-3H-imidazo[1,5-a]pyridin-3-ide;gold(1+);chloride.
What is the SMILES notation for 2-(2,6-dibenzhydryl-4-methylphenyl)-5-(2,4,6-trimethylphenyl)-3H-imidazo[1,5-a]pyridin-3-ide;gold(1+);chloride?
The canonical SMILES for 2-(2,6-dibenzhydryl-4-methylphenyl)-5-(2,4,6-trimethylphenyl)-3H-imidazo[1,5-a]pyridin-3-ide;gold(1+);chloride is Cc1cc(C)c(C2=CC=CC3=CN(c4c(C(c5ccccc5)c5ccccc5)cc(C)cc4C(c4ccccc4)c4ccccc4)[CH-]N32)c(C)c1.[Au+].[Cl-].
What is the InChIKey of 2-(2,6-dibenzhydryl-4-methylphenyl)-5-(2,4,6-trimethylphenyl)-3H-imidazo[1,5-a]pyridin-3-ide;gold(1+);chloride?
The InChIKey is ZVPOAMREQVTGPX-UHFFFAOYSA-M. The full InChI is InChI=1S/C49H43N2.Au.ClH/c1-34-28-36(3)46(37(4)29-34)45-27-17-26-42-32-50(33-51(42)45)49-43(47(38-18-9-5-10-19-38)39-20-11-6-12-21-39)30-35(2)31-44(49)48(40-22-13-7-14-23-40)41-24-15-8-16-25-41;;/h5-33,47-48H,1-4H3;;1H/q-1;+1;/p-1.
What are the key properties of 2-(2,6-dibenzhydryl-4-methylphenyl)-5-(2,4,6-trimethylphenyl)-3H-imidazo[1,5-a]pyridin-3-ide;gold(1+);chloride?
2-(2,6-dibenzhydryl-4-methylphenyl)-5-(2,4,6-trimethylphenyl)-3H-imidazo[1,5-a]pyridin-3-ide;gold(1+);chloride has a molecular weight of 892.32 g/mol, XLogP of 8.98, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dibenzhydryl-4-methylphenyl)-5-(2,4,6-trimethylphenyl)-3H-imidazo[1,5-a]pyridin-3-ide;gold(1+);chloride is sourced from PubChem (CID 174057934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).