2-(7-bromo-9,9-dioctylfluoren-2-yl)-1,3-dioxolane

C32H45BrO2 — CID 129302662

IUPAC2-(7-bromo-9,9-dioctylfluoren-2-yl)-1,3-dioxolane
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(Br)ccc2-c2ccc(C3OCCO3)cc21
InChIInChI=1S/C32H45BrO2/c1-3-5-7-9-11-13-19-32(20-14-12-10-8-6-4-2)29-23-25(31-34-21-22-35-31)15-17-27(29)28-18-16-26(33)24-30(28)32/h15-18,23-24,31H,3-14,19-22H2,1-2H3
InChIKeyWKKGUTQFPZFXLL-UHFFFAOYSA-N
MW541.61 g/mol
LogP10.26
Rot. Bonds15

About 2-(7-bromo-9,9-dioctylfluoren-2-yl)-1,3-dioxolane

2-(7-bromo-9,9-dioctylfluoren-2-yl)-1,3-dioxolane (PubChem CID 129302662) has the molecular formula C32H45BrO2 and a molecular weight of 541.61 g/mol. Its IUPAC name is 2-(7-bromo-9,9-dioctylfluoren-2-yl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(7-bromo-9,9-dioctylfluoren-2-yl)-1,3-dioxolane
PubChem CID129302662
Molecular FormulaC32H45BrO2
Molecular Weight541.61 g/mol
Exact Mass540.26
IUPAC Name2-(7-bromo-9,9-dioctylfluoren-2-yl)-1,3-dioxolane
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(Br)ccc2-c2ccc(C3OCCO3)cc21
InChIInChI=1S/C32H45BrO2/c1-3-5-7-9-11-13-19-32(20-14-12-10-8-6-4-2)29-23-25(31-34-21-22-35-31)15-17-27(29)28-18-16-26(33)24-30(28)32/h15-18,23-24,31H,3-14,19-22H2,1-2H3
InChIKeyWKKGUTQFPZFXLL-UHFFFAOYSA-N
XLogP10.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.61
LogP ≤ 510.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(7-bromo-9,9-dioctylfluoren-2-yl)-1,3-dioxolane 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-Bromo-9,9-difluorofluoren-2-yl)-2-methyl-1,3-dioxolane
CID 145082420
2-(7-Bromo-9,9-difluorofluoren-2-yl)-2,5,5-trimethyl-1,3-dioxane
CID 145082424
2-(7-Bromo-9,9-difluorofluoren-2-yl)-1,3-dioxolane
CID 171758092
2',7'-Dibromospiro[1,3-dioxolane-2,9'-fluorene]
CID 69294899
(2S)-2-(6-bromonaphthalen-2-yl)-4,4-dimethyl-1,3-dioxolane
CID 134947606
2-[4-Bromo-2,6-bis(2,4,6-trimethylphenyl)phenyl]-1,3-dioxolane
CID 139040432
Spiro[4H-cyclopenta[def]phenanthrene-4,2'-[1,3]dioxolane], 8-bromo-
CID 629870
2-(6-Bromo-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-1,3-dioxolane
CID 102134728
6-Bromo-9,9-dimethoxy-2-(methoxymethyl)fluorene
CID 11792050
2-(6-Bromonaphthalen-2-yl)-2-methyl-1,3-dioxolane
CID 13687908
2-(bromomethyl)-2-(9H-fluoren-2-yl)-1,3-dioxolane
CID 21313220
2-(1,3-Dioxolan-2-yl)-3-bromo-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalene
CID 23498935

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-9,9-dioctylfluoren-2-yl)-1,3-dioxolane?
The IUPAC name of 2-(7-bromo-9,9-dioctylfluoren-2-yl)-1,3-dioxolane (CID 129302662) is 2-(7-bromo-9,9-dioctylfluoren-2-yl)-1,3-dioxolane.
What is the SMILES notation for 2-(7-bromo-9,9-dioctylfluoren-2-yl)-1,3-dioxolane?
The canonical SMILES for 2-(7-bromo-9,9-dioctylfluoren-2-yl)-1,3-dioxolane is CCCCCCCCC1(CCCCCCCC)c2cc(Br)ccc2-c2ccc(C3OCCO3)cc21.
What is the InChIKey of 2-(7-bromo-9,9-dioctylfluoren-2-yl)-1,3-dioxolane?
The InChIKey is WKKGUTQFPZFXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45BrO2/c1-3-5-7-9-11-13-19-32(20-14-12-10-8-6-4-2)29-23-25(31-34-21-22-35-31)15-17-27(29)28-18-16-26(33)24-30(28)32/h15-18,23-24,31H,3-14,19-22H2,1-2H3.
What are the key properties of 2-(7-bromo-9,9-dioctylfluoren-2-yl)-1,3-dioxolane?
2-(7-bromo-9,9-dioctylfluoren-2-yl)-1,3-dioxolane has a molecular weight of 541.61 g/mol, XLogP of 10.26, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-9,9-dioctylfluoren-2-yl)-1,3-dioxolane is sourced from PubChem (CID 129302662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).