tributyl-[(E)-2-(9,9-dioctylfluoren-2-yl)-1,2-difluoroethenyl]stannane

C43H68F2Sn — CID 177456187

IUPACtributyl-[(E)-2-(9,9-dioctylfluoren-2-yl)-1,2-difluoroethenyl]stannane
SMILESCCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(/C(F)=C(/F)[Sn](CCCC)(CCCC)CCCC)cc21
InChIInChI=1S/C31H41F2.3C4H9.Sn/c1-3-5-7-9-11-15-21-31(22-16-12-10-8-6-4-2)28-18-14-13-17-26(28)27-20-19-25(23-29(27)31)30(33)24-32;3*1-3-4-2;/h13-14,17-20,23H,3-12,15-16,21-22H2,1-2H3;3*1,3-4H2,2H3;
InChIKeyMAUASFSDEVWPQG-UHFFFAOYSA-N
MW741.72 g/mol
LogP15.45
Rot. Bonds25

About tributyl-[(E)-2-(9,9-dioctylfluoren-2-yl)-1,2-difluoroethenyl]stannane

tributyl-[(E)-2-(9,9-dioctylfluoren-2-yl)-1,2-difluoroethenyl]stannane (PubChem CID 177456187) has the molecular formula C43H68F2Sn and a molecular weight of 741.72 g/mol. Its IUPAC name is tributyl-[(E)-2-(9,9-dioctylfluoren-2-yl)-1,2-difluoroethenyl]stannane.

Molecular Properties

Compound Nametributyl-[(E)-2-(9,9-dioctylfluoren-2-yl)-1,2-difluoroethenyl]stannane
PubChem CID177456187
Molecular FormulaC43H68F2Sn
Molecular Weight741.72 g/mol
Exact Mass742.43
IUPAC Nametributyl-[(E)-2-(9,9-dioctylfluoren-2-yl)-1,2-difluoroethenyl]stannane
SMILESCCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(/C(F)=C(/F)[Sn](CCCC)(CCCC)CCCC)cc21
InChIInChI=1S/C31H41F2.3C4H9.Sn/c1-3-5-7-9-11-15-21-31(22-16-12-10-8-6-4-2)28-18-14-13-17-26(28)27-20-19-25(23-29(27)31)30(33)24-32;3*1-3-4-2;/h13-14,17-20,23H,3-12,15-16,21-22H2,1-2H3;3*1,3-4H2,2H3;
InChIKeyMAUASFSDEVWPQG-UHFFFAOYSA-N
XLogP15.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds25
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.72
LogP ≤ 515.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(9,9-dihexylfluoren-2-yl)propane-1,3-dione
CID 141179723
9,9-didecylfluorene
CID 5135289
9,9-di(docosyl)fluorene
CID 22568526
2,7-dimethyl-9,9-dioctylfluorene;9,9-dioctylfluorene
CID 162081308
2-bromo-9,9-dihexylfluorene
CID 18674600
1-[4-(9,9-dihexylfluoren-2-yl)phenyl]ethanone
CID 142722854
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
[4-[10-[4-(9,9-dihexylfluorene-2-carbonyl)phenyl]anthracen-9-yl]phenyl]-(9,9-dihexylfluoren-2-yl)methanone
CID 102418466
4-[4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenyl]phenol
CID 102433647
4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenol
CID 102433649
9,9-dihexylfluorene-2,7-dicarboxylic acid
CID 23089428
2-ethenyl-9,9-dihexylfluorene
CID 86189845

Frequently Asked Questions

What is the IUPAC name of tributyl-[(E)-2-(9,9-dioctylfluoren-2-yl)-1,2-difluoroethenyl]stannane?
The IUPAC name of tributyl-[(E)-2-(9,9-dioctylfluoren-2-yl)-1,2-difluoroethenyl]stannane (CID 177456187) is tributyl-[(E)-2-(9,9-dioctylfluoren-2-yl)-1,2-difluoroethenyl]stannane.
What is the SMILES notation for tributyl-[(E)-2-(9,9-dioctylfluoren-2-yl)-1,2-difluoroethenyl]stannane?
The canonical SMILES for tributyl-[(E)-2-(9,9-dioctylfluoren-2-yl)-1,2-difluoroethenyl]stannane is CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(/C(F)=C(/F)[Sn](CCCC)(CCCC)CCCC)cc21.
What is the InChIKey of tributyl-[(E)-2-(9,9-dioctylfluoren-2-yl)-1,2-difluoroethenyl]stannane?
The InChIKey is MAUASFSDEVWPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41F2.3C4H9.Sn/c1-3-5-7-9-11-15-21-31(22-16-12-10-8-6-4-2)28-18-14-13-17-26(28)27-20-19-25(23-29(27)31)30(33)24-32;3*1-3-4-2;/h13-14,17-20,23H,3-12,15-16,21-22H2,1-2H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(E)-2-(9,9-dioctylfluoren-2-yl)-1,2-difluoroethenyl]stannane?
tributyl-[(E)-2-(9,9-dioctylfluoren-2-yl)-1,2-difluoroethenyl]stannane has a molecular weight of 741.72 g/mol, XLogP of 15.45, 25 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E)-2-(9,9-dioctylfluoren-2-yl)-1,2-difluoroethenyl]stannane is sourced from PubChem (CID 177456187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).