tributyl-(7-methyl-9,9-dioctylfluoren-2-yl)stannane

C42H70Sn — CID 158683961

IUPACtributyl-(7-methyl-9,9-dioctylfluoren-2-yl)stannane
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc([Sn](CCCC)(CCCC)CCCC)cc21
InChIInChI=1S/C30H43.3C4H9.Sn/c1-4-6-8-10-12-16-22-30(23-17-13-11-9-7-5-2)28-19-15-14-18-26(28)27-21-20-25(3)24-29(27)30;3*1-3-4-2;/h14,18-21,24H,4-13,16-17,22-23H2,1-3H3;3*1,3-4H2,2H3;
InChIKeyLQNWYZLNGPCZNR-UHFFFAOYSA-N
MW693.73 g/mol
LogP13.82
Rot. Bonds24

About tributyl-(7-methyl-9,9-dioctylfluoren-2-yl)stannane

tributyl-(7-methyl-9,9-dioctylfluoren-2-yl)stannane (PubChem CID 158683961) has the molecular formula C42H70Sn and a molecular weight of 693.73 g/mol. Its IUPAC name is tributyl-(7-methyl-9,9-dioctylfluoren-2-yl)stannane.

Molecular Properties

Compound Nametributyl-(7-methyl-9,9-dioctylfluoren-2-yl)stannane
PubChem CID158683961
Molecular FormulaC42H70Sn
Molecular Weight693.73 g/mol
Exact Mass694.45
IUPAC Nametributyl-(7-methyl-9,9-dioctylfluoren-2-yl)stannane
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc([Sn](CCCC)(CCCC)CCCC)cc21
InChIInChI=1S/C30H43.3C4H9.Sn/c1-4-6-8-10-12-16-22-30(23-17-13-11-9-7-5-2)28-19-15-14-18-26(28)27-21-20-25(3)24-29(27)30;3*1-3-4-2;/h14,18-21,24H,4-13,16-17,22-23H2,1-3H3;3*1,3-4H2,2H3;
InChIKeyLQNWYZLNGPCZNR-UHFFFAOYSA-N
XLogP13.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.73
LogP ≤ 513.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze tributyl-(7-methyl-9,9-dioctylfluoren-2-yl)stannane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(9-butyl-7-methyl-9-octylfluoren-2-yl)-7-methyl-9,9-dioctylfluorene
CID 155791402
2,7-dimethyl-9,9-dioctylfluorene;9,9-dioctylfluorene
CID 162081308
CID 173488082
CID 173488082
9,9-didecyl-7-methyl-2H-fluoren-2-ide;yttrium
CID 58594781
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
2-methyl-7-(2-methylbutan-2-yl)-9,9-dioctylfluorene
CID 148971086
2-methyl-9,9-dioctyl-7-[(E)-prop-1-enyl]fluorene
CID 59348469
2-decoxy-1,4-dimethylbenzene;9,9-didodecyl-2,7-dimethylfluorene
CID 123681817
9-hexyl-2,7,9-trimethylfluorene
CID 123978298
2-[3-heptyl-4-(4-methylphenyl)phenyl]-7-methyl-9,9-dioctylfluorene
CID 58720499
1-N,4-N-bis(4-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,7-dimethyl-9,9-dioctylfluorene
CID 90971481
N-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-N,7-dimethylfluoren-2-amine
CID 58151400

Frequently Asked Questions

What is the IUPAC name of tributyl-(7-methyl-9,9-dioctylfluoren-2-yl)stannane?
The IUPAC name of tributyl-(7-methyl-9,9-dioctylfluoren-2-yl)stannane (CID 158683961) is tributyl-(7-methyl-9,9-dioctylfluoren-2-yl)stannane.
What is the SMILES notation for tributyl-(7-methyl-9,9-dioctylfluoren-2-yl)stannane?
The canonical SMILES for tributyl-(7-methyl-9,9-dioctylfluoren-2-yl)stannane is CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc([Sn](CCCC)(CCCC)CCCC)cc21.
What is the InChIKey of tributyl-(7-methyl-9,9-dioctylfluoren-2-yl)stannane?
The InChIKey is LQNWYZLNGPCZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43.3C4H9.Sn/c1-4-6-8-10-12-16-22-30(23-17-13-11-9-7-5-2)28-19-15-14-18-26(28)27-21-20-25(3)24-29(27)30;3*1-3-4-2;/h14,18-21,24H,4-13,16-17,22-23H2,1-3H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(7-methyl-9,9-dioctylfluoren-2-yl)stannane?
tributyl-(7-methyl-9,9-dioctylfluoren-2-yl)stannane has a molecular weight of 693.73 g/mol, XLogP of 13.82, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(7-methyl-9,9-dioctylfluoren-2-yl)stannane is sourced from PubChem (CID 158683961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).