butyl-(9,9-dioctylfluoren-2-yl)stannane

C33H52Sn — CID 154467758

IUPACbutyl-(9,9-dioctylfluoren-2-yl)stannane
SMILESCCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc([SnH2]CCCC)cc21
InChIInChI=1S/C29H41.C4H9.Sn.2H/c1-3-5-7-9-11-17-23-29(24-18-12-10-8-6-4-2)27-21-15-13-19-25(27)26-20-14-16-22-28(26)29;1-3-4-2;;;/h13-15,19-22H,3-12,17-18,23-24H2,1-2H3;1,3-4H2,2H3;;;
InChIKeyNMJZDLWZUUTQEF-UHFFFAOYSA-N
MW567.49 g/mol
LogP9.47
Rot. Bonds18

About butyl-(9,9-dioctylfluoren-2-yl)stannane

butyl-(9,9-dioctylfluoren-2-yl)stannane (PubChem CID 154467758) has the molecular formula C33H52Sn and a molecular weight of 567.49 g/mol. Its IUPAC name is butyl-(9,9-dioctylfluoren-2-yl)stannane.

Molecular Properties

Compound Namebutyl-(9,9-dioctylfluoren-2-yl)stannane
PubChem CID154467758
Molecular FormulaC33H52Sn
Molecular Weight567.49 g/mol
Exact Mass568.31
IUPAC Namebutyl-(9,9-dioctylfluoren-2-yl)stannane
SMILESCCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc([SnH2]CCCC)cc21
InChIInChI=1S/C29H41.C4H9.Sn.2H/c1-3-5-7-9-11-17-23-29(24-18-12-10-8-6-4-2)27-21-15-13-19-25(27)26-20-14-16-22-28(26)29;1-3-4-2;;;/h13-15,19-22H,3-12,17-18,23-24H2,1-2H3;1,3-4H2,2H3;;;
InChIKeyNMJZDLWZUUTQEF-UHFFFAOYSA-N
XLogP9.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.49
LogP ≤ 59.47
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

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
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
2-ethenyl-9,9-dihexylfluorene
CID 86189845
2-ethynyl-9,9-dioctylfluorene
CID 18442166
6-[9-(6-aminohexyl)-2,7-bis(9,9-dihexylfluoren-2-yl)fluoren-9-yl]hexan-1-amine
CID 101479425
9-(9,9-dioctylfluoren-2-yl)-10-(9-heptyl-9-octylfluoren-2-yl)anthracene
CID 142821206
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
7,7,24,24-tetraoctylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8,10,12,15,19,21,23(31),25,27,29,32-pentadecaene
CID 101489887
1,3-bis(9,9-dihexylfluoren-2-yl)propane-1,3-dione
CID 141179723

Frequently Asked Questions

What is the IUPAC name of butyl-(9,9-dioctylfluoren-2-yl)stannane?
The IUPAC name of butyl-(9,9-dioctylfluoren-2-yl)stannane (CID 154467758) is butyl-(9,9-dioctylfluoren-2-yl)stannane.
What is the SMILES notation for butyl-(9,9-dioctylfluoren-2-yl)stannane?
The canonical SMILES for butyl-(9,9-dioctylfluoren-2-yl)stannane is CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc([SnH2]CCCC)cc21.
What is the InChIKey of butyl-(9,9-dioctylfluoren-2-yl)stannane?
The InChIKey is NMJZDLWZUUTQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41.C4H9.Sn.2H/c1-3-5-7-9-11-17-23-29(24-18-12-10-8-6-4-2)27-21-15-13-19-25(27)26-20-14-16-22-28(26)29;1-3-4-2;;;/h13-15,19-22H,3-12,17-18,23-24H2,1-2H3;1,3-4H2,2H3;;;.
What are the key properties of butyl-(9,9-dioctylfluoren-2-yl)stannane?
butyl-(9,9-dioctylfluoren-2-yl)stannane has a molecular weight of 567.49 g/mol, XLogP of 9.47, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(9,9-dioctylfluoren-2-yl)stannane is sourced from PubChem (CID 154467758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).