2-methyl-1-(6-phenylnaphthalen-2-yl)-1-(1-tritylimidazol-4-yl)propan-1-ol

C42H36N2O — CID 18769087

IUPAC2-methyl-1-(6-phenylnaphthalen-2-yl)-1-(1-tritylimidazol-4-yl)propan-1-ol
SMILESCC(C)C(O)(c1ccc2cc(-c3ccccc3)ccc2c1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C42H36N2O/c1-31(2)42(45,39-26-25-34-27-33(23-24-35(34)28-39)32-15-7-3-8-16-32)40-29-44(30-43-40)41(36-17-9-4-10-18-36,37-19-11-5-12-20-37)38-21-13-6-14-22-38/h3-31,45H,1-2H3
InChIKeyNJUOZOJPYFUZNP-UHFFFAOYSA-N
MW584.76 g/mol
LogP9.44
Rot. Bonds8

About 2-methyl-1-(6-phenylnaphthalen-2-yl)-1-(1-tritylimidazol-4-yl)propan-1-ol

2-methyl-1-(6-phenylnaphthalen-2-yl)-1-(1-tritylimidazol-4-yl)propan-1-ol (PubChem CID 18769087) has the molecular formula C42H36N2O and a molecular weight of 584.76 g/mol. Its IUPAC name is 2-methyl-1-(6-phenylnaphthalen-2-yl)-1-(1-tritylimidazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(6-phenylnaphthalen-2-yl)-1-(1-tritylimidazol-4-yl)propan-1-ol
PubChem CID18769087
Molecular FormulaC42H36N2O
Molecular Weight584.76 g/mol
Exact Mass584.28
IUPAC Name2-methyl-1-(6-phenylnaphthalen-2-yl)-1-(1-tritylimidazol-4-yl)propan-1-ol
SMILESCC(C)C(O)(c1ccc2cc(-c3ccccc3)ccc2c1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C42H36N2O/c1-31(2)42(45,39-26-25-34-27-33(23-24-35(34)28-39)32-15-7-3-8-16-32)40-29-44(30-43-40)41(36-17-9-4-10-18-36,37-19-11-5-12-20-37)38-21-13-6-14-22-38/h3-31,45H,1-2H3
InChIKeyNJUOZOJPYFUZNP-UHFFFAOYSA-N
XLogP9.44
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.76
LogP ≤ 59.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-1-(6-phenylnaphthalen-2-yl)-1-(1-tritylimidazol-4-yl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(6-phenylnaphthalen-2-yl)-1-(1-tritylimidazol-4-yl)propan-1-ol?
The IUPAC name of 2-methyl-1-(6-phenylnaphthalen-2-yl)-1-(1-tritylimidazol-4-yl)propan-1-ol (CID 18769087) is 2-methyl-1-(6-phenylnaphthalen-2-yl)-1-(1-tritylimidazol-4-yl)propan-1-ol.
What is the SMILES notation for 2-methyl-1-(6-phenylnaphthalen-2-yl)-1-(1-tritylimidazol-4-yl)propan-1-ol?
The canonical SMILES for 2-methyl-1-(6-phenylnaphthalen-2-yl)-1-(1-tritylimidazol-4-yl)propan-1-ol is CC(C)C(O)(c1ccc2cc(-c3ccccc3)ccc2c1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of 2-methyl-1-(6-phenylnaphthalen-2-yl)-1-(1-tritylimidazol-4-yl)propan-1-ol?
The InChIKey is NJUOZOJPYFUZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H36N2O/c1-31(2)42(45,39-26-25-34-27-33(23-24-35(34)28-39)32-15-7-3-8-16-32)40-29-44(30-43-40)41(36-17-9-4-10-18-36,37-19-11-5-12-20-37)38-21-13-6-14-22-38/h3-31,45H,1-2H3.
What are the key properties of 2-methyl-1-(6-phenylnaphthalen-2-yl)-1-(1-tritylimidazol-4-yl)propan-1-ol?
2-methyl-1-(6-phenylnaphthalen-2-yl)-1-(1-tritylimidazol-4-yl)propan-1-ol has a molecular weight of 584.76 g/mol, XLogP of 9.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(6-phenylnaphthalen-2-yl)-1-(1-tritylimidazol-4-yl)propan-1-ol is sourced from PubChem (CID 18769087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).