benzene;1,1'-biphenyl;carbanide;ethane;bis(1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane);methanamine;propane;1,1,1-trifluoroethane;yttrium

C91H156F15N8Y- — CID 158523967

IUPACbenzene;1,1'-biphenyl;carbanide;ethane;bis(1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane);methanamine;propane;1,1,1-trifluoroethane;yttrium
SMILESCC.CC.CC.CC.CC.CC(C)(C(F)(F)F)C(F)(F)F.CC(C)(C(F)(F)F)C(F)(F)F.CC(F)(F)F.CCC.CCC.CN.CN.CN.CN.CN.CN.CN.CN.[CH3-].[Y].c1ccc(-c2ccccc2)cc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/C12H10.7C6H6.2C5H6F6.2C3H8.C2H3F3.5C2H6.8CH5N.CH3.Y/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;7*1-2-4-6-5-3-1;2*1-3(2,4(6,7)8)5(9,10)11;2*1-3-2;1-2(3,4)5;13*1-2;;/h1-10H;7*1-6H;2*1-2H3;2*3H2,1-2H3;1H3;5*1-2H3;8*2H2,1H3;1H3;/q;;;;;;;;;;;;;;;;;;;;;;;;;;-1;
InChIKeyLVKAKYFGGUZMHC-UHFFFAOYSA-N
MW1736.18 g/mol
LogP28.01
Rot. Bonds1

About benzene;1,1'-biphenyl;carbanide;ethane;bis(1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane);methanamine;propane;1,1,1-trifluoroethane;yttrium

benzene;1,1'-biphenyl;carbanide;ethane;bis(1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane);methanamine;propane;1,1,1-trifluoroethane;yttrium (PubChem CID 158523967) has the molecular formula C91H156F15N8Y- and a molecular weight of 1736.18 g/mol. Its IUPAC name is benzene;1,1'-biphenyl;carbanide;ethane;bis(1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane);methanamine;propane;1,1,1-trifluoroethane;yttrium.

Molecular Properties

Compound Namebenzene;1,1'-biphenyl;carbanide;ethane;bis(1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane);methanamine;propane;1,1,1-trifluoroethane;yttrium
PubChem CID158523967
Molecular FormulaC91H156F15N8Y-
Molecular Weight1736.18 g/mol
Exact Mass1735.13
IUPAC Namebenzene;1,1'-biphenyl;carbanide;ethane;bis(1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane);methanamine;propane;1,1,1-trifluoroethane;yttrium
SMILESCC.CC.CC.CC.CC.CC(C)(C(F)(F)F)C(F)(F)F.CC(C)(C(F)(F)F)C(F)(F)F.CC(F)(F)F.CCC.CCC.CN.CN.CN.CN.CN.CN.CN.CN.[CH3-].[Y].c1ccc(-c2ccccc2)cc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/C12H10.7C6H6.2C5H6F6.2C3H8.C2H3F3.5C2H6.8CH5N.CH3.Y/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;7*1-2-4-6-5-3-1;2*1-3(2,4(6,7)8)5(9,10)11;2*1-3-2;1-2(3,4)5;13*1-2;;/h1-10H;7*1-6H;2*1-2H3;2*3H2,1-2H3;1H3;5*1-2H3;8*2H2,1H3;1H3;/q;;;;;;;;;;;;;;;;;;;;;;;;;;-1;
InChIKeyLVKAKYFGGUZMHC-UHFFFAOYSA-N
XLogP28.01
TPSA208.16 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001736.18
LogP ≤ 528.01
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze benzene;1,1'-biphenyl;carbanide;ethane;bis(1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane);methanamine;propane;1,1,1-trifluoroethane;yttrium with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzene;1,1'-biphenyl;carbanide;ethane;bis(1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane);methanamine;propane;1,1,1-trifluoroethane;yttrium?
The IUPAC name of benzene;1,1'-biphenyl;carbanide;ethane;bis(1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane);methanamine;propane;1,1,1-trifluoroethane;yttrium (CID 158523967) is benzene;1,1'-biphenyl;carbanide;ethane;bis(1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane);methanamine;propane;1,1,1-trifluoroethane;yttrium.
What is the SMILES notation for benzene;1,1'-biphenyl;carbanide;ethane;bis(1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane);methanamine;propane;1,1,1-trifluoroethane;yttrium?
The canonical SMILES for benzene;1,1'-biphenyl;carbanide;ethane;bis(1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane);methanamine;propane;1,1,1-trifluoroethane;yttrium is CC.CC.CC.CC.CC.CC(C)(C(F)(F)F)C(F)(F)F.CC(C)(C(F)(F)F)C(F)(F)F.CC(F)(F)F.CCC.CCC.CN.CN.CN.CN.CN.CN.CN.CN.[CH3-].[Y].c1ccc(-c2ccccc2)cc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;1,1'-biphenyl;carbanide;ethane;bis(1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane);methanamine;propane;1,1,1-trifluoroethane;yttrium?
The InChIKey is LVKAKYFGGUZMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.7C6H6.2C5H6F6.2C3H8.C2H3F3.5C2H6.8CH5N.CH3.Y/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;7*1-2-4-6-5-3-1;2*1-3(2,4(6,7)8)5(9,10)11;2*1-3-2;1-2(3,4)5;13*1-2;;/h1-10H;7*1-6H;2*1-2H3;2*3H2,1-2H3;1H3;5*1-2H3;8*2H2,1H3;1H3;/q;;;;;;;;;;;;;;;;;;;;;;;;;;-1;.
What are the key properties of benzene;1,1'-biphenyl;carbanide;ethane;bis(1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane);methanamine;propane;1,1,1-trifluoroethane;yttrium?
benzene;1,1'-biphenyl;carbanide;ethane;bis(1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane);methanamine;propane;1,1,1-trifluoroethane;yttrium has a molecular weight of 1736.18 g/mol, XLogP of 28.01, 1 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1,1'-biphenyl;carbanide;ethane;bis(1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane);methanamine;propane;1,1,1-trifluoroethane;yttrium is sourced from PubChem (CID 158523967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).