benzene;bis(diphenyliodanium);ethane;fluoromethane;methane;methanol;propane;dichloride

C82H153Cl2FI2O4 — CID 163918485

IUPACbenzene;bis(diphenyliodanium);ethane;fluoromethane;methane;methanol;propane;dichloride
SMILESC.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC.CCC.CF.CO.CO.CO.CO.[Cl-].[Cl-].c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/2C12H10I.4C6H6.2C3H8.9C2H6.CH3F.4CH4O.5CH4.2ClH/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;4*1-2-4-6-5-3-1;2*1-3-2;14*1-2;;;;;;;/h2*1-10H;4*1-6H;2*3H2,1-2H3;9*1-2H3;1H3;4*2H,1H3;5*1H4;2*1H/q2*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-2
InChIKeyHJJLYZBMKULGGD-UHFFFAOYSA-L
MW1546.83 g/mol
LogP14.65
Rot. Bonds4

About benzene;bis(diphenyliodanium);ethane;fluoromethane;methane;methanol;propane;dichloride

benzene;bis(diphenyliodanium);ethane;fluoromethane;methane;methanol;propane;dichloride (PubChem CID 163918485) has the molecular formula C82H153Cl2FI2O4 and a molecular weight of 1546.83 g/mol. Its IUPAC name is benzene;bis(diphenyliodanium);ethane;fluoromethane;methane;methanol;propane;dichloride.

Molecular Properties

Compound Namebenzene;bis(diphenyliodanium);ethane;fluoromethane;methane;methanol;propane;dichloride
PubChem CID163918485
Molecular FormulaC82H153Cl2FI2O4
Molecular Weight1546.83 g/mol
Exact Mass1544.92
IUPAC Namebenzene;bis(diphenyliodanium);ethane;fluoromethane;methane;methanol;propane;dichloride
SMILESC.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC.CCC.CF.CO.CO.CO.CO.[Cl-].[Cl-].c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/2C12H10I.4C6H6.2C3H8.9C2H6.CH3F.4CH4O.5CH4.2ClH/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;4*1-2-4-6-5-3-1;2*1-3-2;14*1-2;;;;;;;/h2*1-10H;4*1-6H;2*3H2,1-2H3;9*1-2H3;1H3;4*2H,1H3;5*1H4;2*1H/q2*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-2
InChIKeyHJJLYZBMKULGGD-UHFFFAOYSA-L
XLogP14.65
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001546.83
LogP ≤ 514.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 160575339

Frequently Asked Questions

What is the IUPAC name of benzene;bis(diphenyliodanium);ethane;fluoromethane;methane;methanol;propane;dichloride?
The IUPAC name of benzene;bis(diphenyliodanium);ethane;fluoromethane;methane;methanol;propane;dichloride (CID 163918485) is benzene;bis(diphenyliodanium);ethane;fluoromethane;methane;methanol;propane;dichloride.
What is the SMILES notation for benzene;bis(diphenyliodanium);ethane;fluoromethane;methane;methanol;propane;dichloride?
The canonical SMILES for benzene;bis(diphenyliodanium);ethane;fluoromethane;methane;methanol;propane;dichloride is C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC.CCC.CF.CO.CO.CO.CO.[Cl-].[Cl-].c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;bis(diphenyliodanium);ethane;fluoromethane;methane;methanol;propane;dichloride?
The InChIKey is HJJLYZBMKULGGD-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H10I.4C6H6.2C3H8.9C2H6.CH3F.4CH4O.5CH4.2ClH/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;4*1-2-4-6-5-3-1;2*1-3-2;14*1-2;;;;;;;/h2*1-10H;4*1-6H;2*3H2,1-2H3;9*1-2H3;1H3;4*2H,1H3;5*1H4;2*1H/q2*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-2.
What are the key properties of benzene;bis(diphenyliodanium);ethane;fluoromethane;methane;methanol;propane;dichloride?
benzene;bis(diphenyliodanium);ethane;fluoromethane;methane;methanol;propane;dichloride has a molecular weight of 1546.83 g/mol, XLogP of 14.65, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;bis(diphenyliodanium);ethane;fluoromethane;methane;methanol;propane;dichloride is sourced from PubChem (CID 163918485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).