ethane;5,5'-spirobi[benzo[b][1]benzosilole]

C32H40Si — CID 91561807

IUPACethane;5,5'-spirobi[benzo[b][1]benzosilole]
SMILESCC.CC.CC.CC.c1ccc2c(c1)-c1ccccc1[Si]21c2ccccc2-c2ccccc21
InChIInChI=1S/C24H16Si.4C2H6/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;4*1-2/h1-16H;4*1-2H3
InChIKeyHNMOQUZSVQXIDQ-UHFFFAOYSA-N
MW452.76 g/mol
LogP7.13
Rot. Bonds

About ethane;5,5'-spirobi[benzo[b][1]benzosilole]

ethane;5,5'-spirobi[benzo[b][1]benzosilole] (PubChem CID 91561807) has the molecular formula C32H40Si and a molecular weight of 452.76 g/mol. Its IUPAC name is ethane;5,5'-spirobi[benzo[b][1]benzosilole].

Molecular Properties

Compound Nameethane;5,5'-spirobi[benzo[b][1]benzosilole]
PubChem CID91561807
Molecular FormulaC32H40Si
Molecular Weight452.76 g/mol
Exact Mass452.29
IUPAC Nameethane;5,5'-spirobi[benzo[b][1]benzosilole]
SMILESCC.CC.CC.CC.c1ccc2c(c1)-c1ccccc1[Si]21c2ccccc2-c2ccccc21
InChIInChI=1S/C24H16Si.4C2H6/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;4*1-2/h1-16H;4*1-2H3
InChIKeyHNMOQUZSVQXIDQ-UHFFFAOYSA-N
XLogP7.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.76
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4,4'',4'''',4''''''-Silanetetrayltetrakis(1,1'-biphenyl)
CID 76878
1,1'-Biphenyl, 4-(triphenylsilyl)-
CID 76637
Diphenyldi(O-tolyl)silane
CID 3522575
4,4''-(Diphenylsilylene)bis(1,1'-biphenyl)
CID 76636
5,5'-Spirobi(dibenzosilole)
CID 135976
Bis-diphenylethyl disiloxane
CID 71420565
Trimethyl(triphenylmethyl)silane
CID 298152
9H-9-Silafluorene, 9,9-diphenyl-
CID 424835
1,1-Dimethyl-2,3,4,5-tetraphenylsilole
CID 5105497
Silacyclopenta-2,4-diene, 1,1-dichloro-2,3,4,5-tetraphenyl-
CID 11430979
Diphenyl(diphenylmethyl)silane
CID 3631522
Phenyltri(O-tolyl)silane
CID 4062260

Frequently Asked Questions

What is the IUPAC name of ethane;5,5'-spirobi[benzo[b][1]benzosilole]?
The IUPAC name of ethane;5,5'-spirobi[benzo[b][1]benzosilole] (CID 91561807) is ethane;5,5'-spirobi[benzo[b][1]benzosilole].
What is the SMILES notation for ethane;5,5'-spirobi[benzo[b][1]benzosilole]?
The canonical SMILES for ethane;5,5'-spirobi[benzo[b][1]benzosilole] is CC.CC.CC.CC.c1ccc2c(c1)-c1ccccc1[Si]21c2ccccc2-c2ccccc21.
What is the InChIKey of ethane;5,5'-spirobi[benzo[b][1]benzosilole]?
The InChIKey is HNMOQUZSVQXIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Si.4C2H6/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;4*1-2/h1-16H;4*1-2H3.
What are the key properties of ethane;5,5'-spirobi[benzo[b][1]benzosilole]?
ethane;5,5'-spirobi[benzo[b][1]benzosilole] has a molecular weight of 452.76 g/mol, XLogP of 7.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5,5'-spirobi[benzo[b][1]benzosilole] is sourced from PubChem (CID 91561807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).