2,7-dichloro-9-hexyl-9-phenylfluorene

C25H24Cl2 — CID 59711127

IUPAC2,7-dichloro-9-hexyl-9-phenylfluorene
SMILESCCCCCCC1(c2ccccc2)c2cc(Cl)ccc2-c2ccc(Cl)cc21
InChIInChI=1S/C25H24Cl2/c1-2-3-4-8-15-25(18-9-6-5-7-10-18)23-16-19(26)11-13-21(23)22-14-12-20(27)17-24(22)25/h5-7,9-14,16-17H,2-4,8,15H2,1H3
InChIKeyOVXFPEIWARPNSB-UHFFFAOYSA-N
MW395.37 g/mol
LogP8.28
Rot. Bonds6

About 2,7-dichloro-9-hexyl-9-phenylfluorene

2,7-dichloro-9-hexyl-9-phenylfluorene (PubChem CID 59711127) has the molecular formula C25H24Cl2 and a molecular weight of 395.37 g/mol. Its IUPAC name is 2,7-dichloro-9-hexyl-9-phenylfluorene.

Molecular Properties

Compound Name2,7-dichloro-9-hexyl-9-phenylfluorene
PubChem CID59711127
Molecular FormulaC25H24Cl2
Molecular Weight395.37 g/mol
Exact Mass394.13
IUPAC Name2,7-dichloro-9-hexyl-9-phenylfluorene
SMILESCCCCCCC1(c2ccccc2)c2cc(Cl)ccc2-c2ccc(Cl)cc21
InChIInChI=1S/C25H24Cl2/c1-2-3-4-8-15-25(18-9-6-5-7-10-18)23-16-19(26)11-13-21(23)22-14-12-20(27)17-24(22)25/h5-7,9-14,16-17H,2-4,8,15H2,1H3
InChIKeyOVXFPEIWARPNSB-UHFFFAOYSA-N
XLogP8.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.37
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,7-dichloro-9-hexyl-9-phenylfluorene 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-(2,7-dichloro-9-hexylfluoren-9-yl)thiophene
CID 59711126
2-chloro-7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluorene
CID 138569718
9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-nonylfluorene;ethane
CID 145357210
9,9-didodecyl-2,7-diphenylfluorene
CID 139911375
9-(4-azidophenyl)-2,7-dimethyl-9-octylfluorene
CID 89274046
3-nonyl-3-phenyl-1-benzofuran-2-one
CID 23503882
9,9-didecylfluorene
CID 5135289
9,9-di(docosyl)fluorene
CID 22568526
2-bromo-9-oct-7-enyl-9-phenylfluorene
CID 146352337
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
2-chloro-8-[4-[7-[7-[4-[7-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9-heptyl-9-octylfluoren-2-yl]-5,9,9-trimethylfluoren-2-yl]phenyl]-9,9-dioctylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-6,6,12,12-tetraoctylindeno[1,2-b]fluorene
CID 169036242
2,7-dimethyl-9,9-dioctylfluorene;9,9-dioctylfluorene
CID 162081308

Frequently Asked Questions

What is the IUPAC name of 2,7-dichloro-9-hexyl-9-phenylfluorene?
The IUPAC name of 2,7-dichloro-9-hexyl-9-phenylfluorene (CID 59711127) is 2,7-dichloro-9-hexyl-9-phenylfluorene.
What is the SMILES notation for 2,7-dichloro-9-hexyl-9-phenylfluorene?
The canonical SMILES for 2,7-dichloro-9-hexyl-9-phenylfluorene is CCCCCCC1(c2ccccc2)c2cc(Cl)ccc2-c2ccc(Cl)cc21.
What is the InChIKey of 2,7-dichloro-9-hexyl-9-phenylfluorene?
The InChIKey is OVXFPEIWARPNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2/c1-2-3-4-8-15-25(18-9-6-5-7-10-18)23-16-19(26)11-13-21(23)22-14-12-20(27)17-24(22)25/h5-7,9-14,16-17H,2-4,8,15H2,1H3.
What are the key properties of 2,7-dichloro-9-hexyl-9-phenylfluorene?
2,7-dichloro-9-hexyl-9-phenylfluorene has a molecular weight of 395.37 g/mol, XLogP of 8.28, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dichloro-9-hexyl-9-phenylfluorene is sourced from PubChem (CID 59711127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).