2-(2-methylbutan-2-yl)-9,9-dioctylfluorene

C34H52 — CID 143498644

IUPAC2-(2-methylbutan-2-yl)-9,9-dioctylfluorene
SMILESCCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(C(C)(C)CC)cc21
InChIInChI=1S/C34H52/c1-6-9-11-13-15-19-25-34(26-20-16-14-12-10-7-2)31-22-18-17-21-29(31)30-24-23-28(27-32(30)34)33(4,5)8-3/h17-18,21-24,27H,6-16,19-20,25-26H2,1-5H3
InChIKeyNPAXFGKXKVFHPF-UHFFFAOYSA-N
MW460.79 g/mol
LogP11.14
Rot. Bonds16

About 2-(2-methylbutan-2-yl)-9,9-dioctylfluorene

2-(2-methylbutan-2-yl)-9,9-dioctylfluorene (PubChem CID 143498644) has the molecular formula C34H52 and a molecular weight of 460.79 g/mol. Its IUPAC name is 2-(2-methylbutan-2-yl)-9,9-dioctylfluorene.

Molecular Properties

Compound Name2-(2-methylbutan-2-yl)-9,9-dioctylfluorene
PubChem CID143498644
Molecular FormulaC34H52
Molecular Weight460.79 g/mol
Exact Mass460.41
IUPAC Name2-(2-methylbutan-2-yl)-9,9-dioctylfluorene
SMILESCCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(C(C)(C)CC)cc21
InChIInChI=1S/C34H52/c1-6-9-11-13-15-19-25-34(26-20-16-14-12-10-7-2)31-22-18-17-21-29(31)30-24-23-28(27-32(30)34)33(4,5)8-3/h17-18,21-24,27H,6-16,19-20,25-26H2,1-5H3
InChIKeyNPAXFGKXKVFHPF-UHFFFAOYSA-N
XLogP11.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.79
LogP ≤ 511.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-(2-methylbutan-2-yl)-9,9-dioctylfluorene 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-methyl-7-(2-methylbutan-2-yl)-9,9-dioctylfluorene
CID 148971086
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-(9,9-dioctylfluoren-2-yl)-10-(9-heptyl-9-octylfluoren-2-yl)anthracene
CID 142821206
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
2,5-bis(9,9-dioctylfluoren-2-yl)thiophene
CID 122383258
2-(4-tert-butylphenyl)-5-(9,9-dihexylfluoren-2-yl)pyridine
CID 122395424
2-ethenyl-9,9-dihexylfluorene
CID 86189845
2-(9,9-dihexylfluoren-2-yl)-5-[5-[5-[5-[5-[5-(9,9-dihexylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 102074609
2,5-bis[5-(9,9-dioctylfluoren-2-yl)thiophen-2-yl]thiophene
CID 71413070

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutan-2-yl)-9,9-dioctylfluorene?
The IUPAC name of 2-(2-methylbutan-2-yl)-9,9-dioctylfluorene (CID 143498644) is 2-(2-methylbutan-2-yl)-9,9-dioctylfluorene.
What is the SMILES notation for 2-(2-methylbutan-2-yl)-9,9-dioctylfluorene?
The canonical SMILES for 2-(2-methylbutan-2-yl)-9,9-dioctylfluorene is CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(C(C)(C)CC)cc21.
What is the InChIKey of 2-(2-methylbutan-2-yl)-9,9-dioctylfluorene?
The InChIKey is NPAXFGKXKVFHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H52/c1-6-9-11-13-15-19-25-34(26-20-16-14-12-10-7-2)31-22-18-17-21-29(31)30-24-23-28(27-32(30)34)33(4,5)8-3/h17-18,21-24,27H,6-16,19-20,25-26H2,1-5H3.
What are the key properties of 2-(2-methylbutan-2-yl)-9,9-dioctylfluorene?
2-(2-methylbutan-2-yl)-9,9-dioctylfluorene has a molecular weight of 460.79 g/mol, XLogP of 11.14, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutan-2-yl)-9,9-dioctylfluorene is sourced from PubChem (CID 143498644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).