lithium;acetic acid;deuterio thiohypofluorite;2,7-dimethyl-9H-fluorene;2,7-dimethylfluoren-9-one;2,7-dimethyl-9-(2-phenylphenyl)fluoren-9-ol;2',7'-dimethyl-9,9'-spirobi[fluorene];1-methyl-2-phenylbenzene;phenylbenzene

C111H94FLiO4S — CID 159590263

IUPAClithium;acetic acid;deuterio thiohypofluorite;2,7-dimethyl-9H-fluorene;2,7-dimethylfluoren-9-one;2,7-dimethyl-9-(2-phenylphenyl)fluoren-9-ol;2',7'-dimethyl-9,9'-spirobi[fluorene];1-methyl-2-phenylbenzene;phenylbenzene
SMILESCC(=O)O.Cc1ccc2c(c1)C(=O)c1cc(C)ccc1-2.Cc1ccc2c(c1)C(O)(c1ccccc1-c1ccccc1)c1cc(C)ccc1-2.Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C)ccc1-2.Cc1ccc2c(c1)Cc1cc(C)ccc1-2.Cc1ccccc1-c1ccccc1.[2H]SF.[Li+].[c-]1ccccc1-c1ccccc1
InChIInChI=1S/C27H22O.C27H20.C15H12O.C15H14.C13H12.C12H9.C2H4O2.FHS.Li/c1-18-12-14-22-23-15-13-19(2)17-26(23)27(28,25(22)16-18)24-11-7-6-10-21(24)20-8-4-3-5-9-20;1-17-11-13-21-22-14-12-18(2)16-26(22)27(25(21)15-17)23-9-5-3-7-19(23)20-8-4-6-10-24(20)27;1-9-3-5-11-12-6-4-10(2)8-14(12)15(16)13(11)7-9;1-10-3-5-14-12(7-10)9-13-8-11(2)4-6-15(13)14;1-11-7-5-6-10-13(11)12-8-3-2-4-9-12;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2(3)4;1-2;/h3-17,28H,1-2H3;3-16H,1-2H3;3-8H,1-2H3;3-8H,9H2,1-2H3;2-10H,1H3;1-9H;1H3,(H,3,4);2H;/q;;;;;-1;;;+1/i;;;;;;;2D;
InChIKeyFNORARMFOAUBLI-POIAXXKXSA-N
MW1550.98 g/mol
LogP24.98
Rot. Bonds4

About lithium;acetic acid;deuterio thiohypofluorite;2,7-dimethyl-9H-fluorene;2,7-dimethylfluoren-9-one;2,7-dimethyl-9-(2-phenylphenyl)fluoren-9-ol;2',7'-dimethyl-9,9'-spirobi[fluorene];1-methyl-2-phenylbenzene;phenylbenzene

lithium;acetic acid;deuterio thiohypofluorite;2,7-dimethyl-9H-fluorene;2,7-dimethylfluoren-9-one;2,7-dimethyl-9-(2-phenylphenyl)fluoren-9-ol;2',7'-dimethyl-9,9'-spirobi[fluorene];1-methyl-2-phenylbenzene;phenylbenzene (PubChem CID 159590263) has the molecular formula C111H94FLiO4S and a molecular weight of 1550.98 g/mol. Its IUPAC name is lithium;acetic acid;deuterio thiohypofluorite;2,7-dimethyl-9H-fluorene;2,7-dimethylfluoren-9-one;2,7-dimethyl-9-(2-phenylphenyl)fluoren-9-ol;2',7'-dimethyl-9,9'-spirobi[fluorene];1-methyl-2-phenylbenzene;phenylbenzene.

Molecular Properties

Compound Namelithium;acetic acid;deuterio thiohypofluorite;2,7-dimethyl-9H-fluorene;2,7-dimethylfluoren-9-one;2,7-dimethyl-9-(2-phenylphenyl)fluoren-9-ol;2',7'-dimethyl-9,9'-spirobi[fluorene];1-methyl-2-phenylbenzene;phenylbenzene
PubChem CID159590263
Molecular FormulaC111H94FLiO4S
Molecular Weight1550.98 g/mol
Exact Mass1549.71
IUPAC Namelithium;acetic acid;deuterio thiohypofluorite;2,7-dimethyl-9H-fluorene;2,7-dimethylfluoren-9-one;2,7-dimethyl-9-(2-phenylphenyl)fluoren-9-ol;2',7'-dimethyl-9,9'-spirobi[fluorene];1-methyl-2-phenylbenzene;phenylbenzene
SMILESCC(=O)O.Cc1ccc2c(c1)C(=O)c1cc(C)ccc1-2.Cc1ccc2c(c1)C(O)(c1ccccc1-c1ccccc1)c1cc(C)ccc1-2.Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C)ccc1-2.Cc1ccc2c(c1)Cc1cc(C)ccc1-2.Cc1ccccc1-c1ccccc1.[2H]SF.[Li+].[c-]1ccccc1-c1ccccc1
InChIInChI=1S/C27H22O.C27H20.C15H12O.C15H14.C13H12.C12H9.C2H4O2.FHS.Li/c1-18-12-14-22-23-15-13-19(2)17-26(23)27(28,25(22)16-18)24-11-7-6-10-21(24)20-8-4-3-5-9-20;1-17-11-13-21-22-14-12-18(2)16-26(22)27(25(21)15-17)23-9-5-3-7-19(23)20-8-4-6-10-24(20)27;1-9-3-5-11-12-6-4-10(2)8-14(12)15(16)13(11)7-9;1-10-3-5-14-12(7-10)9-13-8-11(2)4-6-15(13)14;1-11-7-5-6-10-13(11)12-8-3-2-4-9-12;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2(3)4;1-2;/h3-17,28H,1-2H3;3-16H,1-2H3;3-8H,1-2H3;3-8H,9H2,1-2H3;2-10H,1H3;1-9H;1H3,(H,3,4);2H;/q;;;;;-1;;;+1/i;;;;;;;2D;
InChIKeyFNORARMFOAUBLI-POIAXXKXSA-N
XLogP24.98
TPSA74.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001550.98
LogP ≤ 524.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze lithium;acetic acid;deuterio thiohypofluorite;2,7-dimethyl-9H-fluorene;2,7-dimethylfluoren-9-one;2,7-dimethyl-9-(2-phenylphenyl)fluoren-9-ol;2',7'-dimethyl-9,9'-spirobi[fluorene];1-methyl-2-phenylbenzene;phenylbenzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;acetic acid;deuterio thiohypofluorite;2,7-dimethyl-9H-fluorene;2,7-dimethylfluoren-9-one;2,7-dimethyl-9-(2-phenylphenyl)fluoren-9-ol;2',7'-dimethyl-9,9'-spirobi[fluorene];1-methyl-2-phenylbenzene;phenylbenzene?
The IUPAC name of lithium;acetic acid;deuterio thiohypofluorite;2,7-dimethyl-9H-fluorene;2,7-dimethylfluoren-9-one;2,7-dimethyl-9-(2-phenylphenyl)fluoren-9-ol;2',7'-dimethyl-9,9'-spirobi[fluorene];1-methyl-2-phenylbenzene;phenylbenzene (CID 159590263) is lithium;acetic acid;deuterio thiohypofluorite;2,7-dimethyl-9H-fluorene;2,7-dimethylfluoren-9-one;2,7-dimethyl-9-(2-phenylphenyl)fluoren-9-ol;2',7'-dimethyl-9,9'-spirobi[fluorene];1-methyl-2-phenylbenzene;phenylbenzene.
What is the SMILES notation for lithium;acetic acid;deuterio thiohypofluorite;2,7-dimethyl-9H-fluorene;2,7-dimethylfluoren-9-one;2,7-dimethyl-9-(2-phenylphenyl)fluoren-9-ol;2',7'-dimethyl-9,9'-spirobi[fluorene];1-methyl-2-phenylbenzene;phenylbenzene?
The canonical SMILES for lithium;acetic acid;deuterio thiohypofluorite;2,7-dimethyl-9H-fluorene;2,7-dimethylfluoren-9-one;2,7-dimethyl-9-(2-phenylphenyl)fluoren-9-ol;2',7'-dimethyl-9,9'-spirobi[fluorene];1-methyl-2-phenylbenzene;phenylbenzene is CC(=O)O.Cc1ccc2c(c1)C(=O)c1cc(C)ccc1-2.Cc1ccc2c(c1)C(O)(c1ccccc1-c1ccccc1)c1cc(C)ccc1-2.Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C)ccc1-2.Cc1ccc2c(c1)Cc1cc(C)ccc1-2.Cc1ccccc1-c1ccccc1.[2H]SF.[Li+].[c-]1ccccc1-c1ccccc1.
What is the InChIKey of lithium;acetic acid;deuterio thiohypofluorite;2,7-dimethyl-9H-fluorene;2,7-dimethylfluoren-9-one;2,7-dimethyl-9-(2-phenylphenyl)fluoren-9-ol;2',7'-dimethyl-9,9'-spirobi[fluorene];1-methyl-2-phenylbenzene;phenylbenzene?
The InChIKey is FNORARMFOAUBLI-POIAXXKXSA-N. The full InChI is InChI=1S/C27H22O.C27H20.C15H12O.C15H14.C13H12.C12H9.C2H4O2.FHS.Li/c1-18-12-14-22-23-15-13-19(2)17-26(23)27(28,25(22)16-18)24-11-7-6-10-21(24)20-8-4-3-5-9-20;1-17-11-13-21-22-14-12-18(2)16-26(22)27(25(21)15-17)23-9-5-3-7-19(23)20-8-4-6-10-24(20)27;1-9-3-5-11-12-6-4-10(2)8-14(12)15(16)13(11)7-9;1-10-3-5-14-12(7-10)9-13-8-11(2)4-6-15(13)14;1-11-7-5-6-10-13(11)12-8-3-2-4-9-12;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2(3)4;1-2;/h3-17,28H,1-2H3;3-16H,1-2H3;3-8H,1-2H3;3-8H,9H2,1-2H3;2-10H,1H3;1-9H;1H3,(H,3,4);2H;/q;;;;;-1;;;+1/i;;;;;;;2D;.
What are the key properties of lithium;acetic acid;deuterio thiohypofluorite;2,7-dimethyl-9H-fluorene;2,7-dimethylfluoren-9-one;2,7-dimethyl-9-(2-phenylphenyl)fluoren-9-ol;2',7'-dimethyl-9,9'-spirobi[fluorene];1-methyl-2-phenylbenzene;phenylbenzene?
lithium;acetic acid;deuterio thiohypofluorite;2,7-dimethyl-9H-fluorene;2,7-dimethylfluoren-9-one;2,7-dimethyl-9-(2-phenylphenyl)fluoren-9-ol;2',7'-dimethyl-9,9'-spirobi[fluorene];1-methyl-2-phenylbenzene;phenylbenzene has a molecular weight of 1550.98 g/mol, XLogP of 24.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;acetic acid;deuterio thiohypofluorite;2,7-dimethyl-9H-fluorene;2,7-dimethylfluoren-9-one;2,7-dimethyl-9-(2-phenylphenyl)fluoren-9-ol;2',7'-dimethyl-9,9'-spirobi[fluorene];1-methyl-2-phenylbenzene;phenylbenzene is sourced from PubChem (CID 159590263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).