2-bromo-9,9-dihexyl-7-iodofluorene

C25H32BrI — CID 18448199

IUPAC2-bromo-9,9-dihexyl-7-iodofluorene
SMILESCCCCCCC1(CCCCCC)c2cc(Br)ccc2-c2ccc(I)cc21
InChIInChI=1S/C25H32BrI/c1-3-5-7-9-15-25(16-10-8-6-4-2)23-17-19(26)11-13-21(23)22-14-12-20(27)18-24(22)25/h11-14,17-18H,3-10,15-16H2,1-2H3
InChIKeyZAIUBBAFFKLMSR-UHFFFAOYSA-N
MW539.34 g/mol
LogP9.26
Rot. Bonds10

About 2-bromo-9,9-dihexyl-7-iodofluorene

2-bromo-9,9-dihexyl-7-iodofluorene (PubChem CID 18448199) has the molecular formula C25H32BrI and a molecular weight of 539.34 g/mol. Its IUPAC name is 2-bromo-9,9-dihexyl-7-iodofluorene.

Molecular Properties

Compound Name2-bromo-9,9-dihexyl-7-iodofluorene
PubChem CID18448199
Molecular FormulaC25H32BrI
Molecular Weight539.34 g/mol
Exact Mass538.07
IUPAC Name2-bromo-9,9-dihexyl-7-iodofluorene
SMILESCCCCCCC1(CCCCCC)c2cc(Br)ccc2-c2ccc(I)cc21
InChIInChI=1S/C25H32BrI/c1-3-5-7-9-15-25(16-10-8-6-4-2)23-17-19(26)11-13-21(23)22-14-12-20(27)18-24(22)25/h11-14,17-18H,3-10,15-16H2,1-2H3
InChIKeyZAIUBBAFFKLMSR-UHFFFAOYSA-N
XLogP9.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.34
LogP ≤ 59.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-bromo-9,9-dihexyl-7-iodofluorene 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

2,7-dibromo-9-heptyl-9-hexylfluorene
CID 170123395
2-bromo-7-(7-bromo-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluorene
CID 58676153
2-bromo-7-[7-[7-(7-bromo-9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluorene
CID 101349913
3-(2,7-dibromo-9-hexylfluoren-9-yl)propan-1-amine
CID 146448745
2-bromo-9,9-dihexylfluorene
CID 18674600
CID 59561089
CID 59561089
2,7-dibromo-9-iodo-9-octylfluorene
CID 138531843
2,7-dibromo-9,9-bis(6-bromohexyl)fluorene;ethane
CID 143104175
2,7-bis(4-bromo-2-methylphenyl)-9,9-dihexylfluorene
CID 155761603
6,15,24-tribromo-9,18,27-triethyl-9,18,27-trioctylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaene
CID 148782423
2-N,2-N,7-N,7-N-tetrakis(4-bromophenyl)-9,9-dihexylfluorene-2,7-diamine
CID 134849382
2,7-dibromo-9,9-di(icosyl)indeno[2,1-b]siline
CID 150674535

Frequently Asked Questions

What is the IUPAC name of 2-bromo-9,9-dihexyl-7-iodofluorene?
The IUPAC name of 2-bromo-9,9-dihexyl-7-iodofluorene (CID 18448199) is 2-bromo-9,9-dihexyl-7-iodofluorene.
What is the SMILES notation for 2-bromo-9,9-dihexyl-7-iodofluorene?
The canonical SMILES for 2-bromo-9,9-dihexyl-7-iodofluorene is CCCCCCC1(CCCCCC)c2cc(Br)ccc2-c2ccc(I)cc21.
What is the InChIKey of 2-bromo-9,9-dihexyl-7-iodofluorene?
The InChIKey is ZAIUBBAFFKLMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32BrI/c1-3-5-7-9-15-25(16-10-8-6-4-2)23-17-19(26)11-13-21(23)22-14-12-20(27)18-24(22)25/h11-14,17-18H,3-10,15-16H2,1-2H3.
What are the key properties of 2-bromo-9,9-dihexyl-7-iodofluorene?
2-bromo-9,9-dihexyl-7-iodofluorene has a molecular weight of 539.34 g/mol, XLogP of 9.26, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9,9-dihexyl-7-iodofluorene is sourced from PubChem (CID 18448199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).