9,9-diphenylfluorene;ethane;fluoro(sulfanylidene)borane;methane;9,9'-spirobi[fluorene]

C55H50BFS — CID 160740129

IUPAC9,9-diphenylfluorene;ethane;fluoro(sulfanylidene)borane;methane;9,9'-spirobi[fluorene]
SMILESC.CC.CC.FB=S.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C25H16.C25H18.2C2H6.CH4.BFS/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)23-15-7-3-11-19(23)20-12-4-8-16-24(20)25;1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;2*1-2;;2-1-3/h1-16H;1-18H;2*1-2H3;1H4;
InChIKeyRVLSCRQLCGNZST-UHFFFAOYSA-N
MW772.88 g/mol
LogP15.46
Rot. Bonds2

About 9,9-diphenylfluorene;ethane;fluoro(sulfanylidene)borane;methane;9,9'-spirobi[fluorene]

9,9-diphenylfluorene;ethane;fluoro(sulfanylidene)borane;methane;9,9'-spirobi[fluorene] (PubChem CID 160740129) has the molecular formula C55H50BFS and a molecular weight of 772.88 g/mol. Its IUPAC name is 9,9-diphenylfluorene;ethane;fluoro(sulfanylidene)borane;methane;9,9'-spirobi[fluorene].

Molecular Properties

Compound Name9,9-diphenylfluorene;ethane;fluoro(sulfanylidene)borane;methane;9,9'-spirobi[fluorene]
PubChem CID160740129
Molecular FormulaC55H50BFS
Molecular Weight772.88 g/mol
Exact Mass772.37
IUPAC Name9,9-diphenylfluorene;ethane;fluoro(sulfanylidene)borane;methane;9,9'-spirobi[fluorene]
SMILESC.CC.CC.FB=S.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C25H16.C25H18.2C2H6.CH4.BFS/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)23-15-7-3-11-19(23)20-12-4-8-16-24(20)25;1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;2*1-2;;2-1-3/h1-16H;1-18H;2*1-2H3;1H4;
InChIKeyRVLSCRQLCGNZST-UHFFFAOYSA-N
XLogP15.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.88
LogP ≤ 515.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9,9-diphenylfluorene;methane
CID 145331804
9,9-diphenylfluorene;methane
CID 145140147
bis(9,9-diphenylfluorene);ethane;propane
CID 144938803
9,9-diphenylfluorene;propane
CID 158205050
9,9-diphenylfluorene;methoxymethane
CID 143139467
9,9-dimethylfluorene;tris(N,N-dimethylmethanamine);9,9-diphenylfluorene;ethane;tetrakis(9,9'-spirobi[fluorene])
CID 161352369
tetrakis(9,9-dimethylfluorene);tetrakis(9,9-diphenylfluorene);ethane;toluene
CID 157389689
methane;2-methyl-9,9-diphenylfluorene
CID 144583572
9-(2-fluorophenyl)-9-phenylfluorene
CID 102442885
4-(9-phenylfluoren-9-yl)pyridine
CID 130393979
4-(9-phenylfluoren-9-yl)benzenethiol
CID 58769505
ethane;naphthalene;9,9'-spirobi[fluorene]
CID 162036420

Frequently Asked Questions

What is the IUPAC name of 9,9-diphenylfluorene;ethane;fluoro(sulfanylidene)borane;methane;9,9'-spirobi[fluorene]?
The IUPAC name of 9,9-diphenylfluorene;ethane;fluoro(sulfanylidene)borane;methane;9,9'-spirobi[fluorene] (CID 160740129) is 9,9-diphenylfluorene;ethane;fluoro(sulfanylidene)borane;methane;9,9'-spirobi[fluorene].
What is the SMILES notation for 9,9-diphenylfluorene;ethane;fluoro(sulfanylidene)borane;methane;9,9'-spirobi[fluorene]?
The canonical SMILES for 9,9-diphenylfluorene;ethane;fluoro(sulfanylidene)borane;methane;9,9'-spirobi[fluorene] is C.CC.CC.FB=S.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 9,9-diphenylfluorene;ethane;fluoro(sulfanylidene)borane;methane;9,9'-spirobi[fluorene]?
The InChIKey is RVLSCRQLCGNZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16.C25H18.2C2H6.CH4.BFS/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)23-15-7-3-11-19(23)20-12-4-8-16-24(20)25;1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;2*1-2;;2-1-3/h1-16H;1-18H;2*1-2H3;1H4;.
What are the key properties of 9,9-diphenylfluorene;ethane;fluoro(sulfanylidene)borane;methane;9,9'-spirobi[fluorene]?
9,9-diphenylfluorene;ethane;fluoro(sulfanylidene)borane;methane;9,9'-spirobi[fluorene] has a molecular weight of 772.88 g/mol, XLogP of 15.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-diphenylfluorene;ethane;fluoro(sulfanylidene)borane;methane;9,9'-spirobi[fluorene] is sourced from PubChem (CID 160740129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).