bis((4-iodophenyl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanone);methane

C46H58I2O2 — CID 160784226

IUPACbis((4-iodophenyl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanone);methane
SMILESC.C.Cc1cc2c(cc1C(=O)c1ccc(I)cc1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C(=O)c1ccc(I)cc1)C(C)(C)CCC2(C)C
InChIInChI=1S/2C22H25IO.2CH4/c2*1-14-12-18-19(22(4,5)11-10-21(18,2)3)13-17(14)20(24)15-6-8-16(23)9-7-15;;/h2*6-9,12-13H,10-11H2,1-5H3;2*1H4
InChIKeySAZKZSSOWZNLOT-UHFFFAOYSA-N
MW896.78 g/mol
LogP13.63
Rot. Bonds4

About bis((4-iodophenyl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanone);methane

bis((4-iodophenyl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanone);methane (PubChem CID 160784226) has the molecular formula C46H58I2O2 and a molecular weight of 896.78 g/mol. Its IUPAC name is bis((4-iodophenyl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanone);methane.

Molecular Properties

Compound Namebis((4-iodophenyl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanone);methane
PubChem CID160784226
Molecular FormulaC46H58I2O2
Molecular Weight896.78 g/mol
Exact Mass896.25
IUPAC Namebis((4-iodophenyl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanone);methane
SMILESC.C.Cc1cc2c(cc1C(=O)c1ccc(I)cc1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C(=O)c1ccc(I)cc1)C(C)(C)CCC2(C)C
InChIInChI=1S/2C22H25IO.2CH4/c2*1-14-12-18-19(22(4,5)11-10-21(18,2)3)13-17(14)20(24)15-6-8-16(23)9-7-15;;/h2*6-9,12-13H,10-11H2,1-5H3;2*1H4
InChIKeySAZKZSSOWZNLOT-UHFFFAOYSA-N
XLogP13.63
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500896.78
LogP ≤ 513.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze bis((4-iodophenyl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanone);methane 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 bis((4-iodophenyl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanone);methane?
The IUPAC name of bis((4-iodophenyl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanone);methane (CID 160784226) is bis((4-iodophenyl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanone);methane.
What is the SMILES notation for bis((4-iodophenyl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanone);methane?
The canonical SMILES for bis((4-iodophenyl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanone);methane is C.C.Cc1cc2c(cc1C(=O)c1ccc(I)cc1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C(=O)c1ccc(I)cc1)C(C)(C)CCC2(C)C.
What is the InChIKey of bis((4-iodophenyl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanone);methane?
The InChIKey is SAZKZSSOWZNLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H25IO.2CH4/c2*1-14-12-18-19(22(4,5)11-10-21(18,2)3)13-17(14)20(24)15-6-8-16(23)9-7-15;;/h2*6-9,12-13H,10-11H2,1-5H3;2*1H4.
What are the key properties of bis((4-iodophenyl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanone);methane?
bis((4-iodophenyl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanone);methane has a molecular weight of 896.78 g/mol, XLogP of 13.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis((4-iodophenyl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanone);methane is sourced from PubChem (CID 160784226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).