9,9-dioctylfluorene;2-methylpyrimidine

C34H48N2 — CID 174872093

IUPAC9,9-dioctylfluorene;2-methylpyrimidine
SMILESCCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccccc21.Cc1ncccn1
InChIInChI=1S/C29H42.C5H6N2/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;1-5-6-3-2-4-7-5/h13-16,19-22H,3-12,17-18,23-24H2,1-2H3;2-4H,1H3
InChIKeyCGVBQSVXEPOFNJ-UHFFFAOYSA-N
MW484.77 g/mol
LogP10.24
Rot. Bonds14

About 9,9-dioctylfluorene;2-methylpyrimidine

9,9-dioctylfluorene;2-methylpyrimidine (PubChem CID 174872093) has the molecular formula C34H48N2 and a molecular weight of 484.77 g/mol. Its IUPAC name is 9,9-dioctylfluorene;2-methylpyrimidine.

Molecular Properties

Compound Name9,9-dioctylfluorene;2-methylpyrimidine
PubChem CID174872093
Molecular FormulaC34H48N2
Molecular Weight484.77 g/mol
Exact Mass484.38
IUPAC Name9,9-dioctylfluorene;2-methylpyrimidine
SMILESCCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccccc21.Cc1ncccn1
InChIInChI=1S/C29H42.C5H6N2/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;1-5-6-3-2-4-7-5/h13-16,19-22H,3-12,17-18,23-24H2,1-2H3;2-4H,1H3
InChIKeyCGVBQSVXEPOFNJ-UHFFFAOYSA-N
XLogP10.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.77
LogP ≤ 510.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9,9-dioctylfluorene;2-methylpyrimidine 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

9,9-didecylfluorene
CID 5135289
9,9-di(docosyl)fluorene
CID 22568526
2,7-dimethyl-9,9-dioctylfluorene;9,9-dioctylfluorene
CID 162081308
9,9-bis(10-nonylsulfanyldecyl)fluorene
CID 102382728
9,9-dioctylfluorene;ethane;fluoren-9-one;methane
CID 158051918
CID 162235627
CID 162235627
2-bromo-9,9-dihexylfluorene
CID 18674600
3-bromo-9,9-dioctylfluorene
CID 139567905
2-ethynyl-9,9-dioctylfluorene
CID 18442166
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
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

Frequently Asked Questions

What is the IUPAC name of 9,9-dioctylfluorene;2-methylpyrimidine?
The IUPAC name of 9,9-dioctylfluorene;2-methylpyrimidine (CID 174872093) is 9,9-dioctylfluorene;2-methylpyrimidine.
What is the SMILES notation for 9,9-dioctylfluorene;2-methylpyrimidine?
The canonical SMILES for 9,9-dioctylfluorene;2-methylpyrimidine is CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccccc21.Cc1ncccn1.
What is the InChIKey of 9,9-dioctylfluorene;2-methylpyrimidine?
The InChIKey is CGVBQSVXEPOFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42.C5H6N2/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;1-5-6-3-2-4-7-5/h13-16,19-22H,3-12,17-18,23-24H2,1-2H3;2-4H,1H3.
What are the key properties of 9,9-dioctylfluorene;2-methylpyrimidine?
9,9-dioctylfluorene;2-methylpyrimidine has a molecular weight of 484.77 g/mol, XLogP of 10.24, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dioctylfluorene;2-methylpyrimidine is sourced from PubChem (CID 174872093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).