2,8-bis(bromomethyl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene;ethane

C28H30Br2 — CID 143467671

IUPAC2,8-bis(bromomethyl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene;ethane
SMILESCC.CC1(C)c2cc(CBr)ccc2-c2cc3c(cc21)-c1ccc(CBr)cc1C3(C)C
InChIInChI=1S/C26H24Br2.C2H6/c1-25(2)21-9-15(13-27)5-7-17(21)19-12-24-20(11-23(19)25)18-8-6-16(14-28)10-22(18)26(24,3)4;1-2/h5-12H,13-14H2,1-4H3;1-2H3
InChIKeyWBROVSANZZYGLD-UHFFFAOYSA-N
MW526.36 g/mol
LogP9.12
Rot. Bonds2

About 2,8-bis(bromomethyl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene;ethane

2,8-bis(bromomethyl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene;ethane (PubChem CID 143467671) has the molecular formula C28H30Br2 and a molecular weight of 526.36 g/mol. Its IUPAC name is 2,8-bis(bromomethyl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene;ethane.

Molecular Properties

Compound Name2,8-bis(bromomethyl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene;ethane
PubChem CID143467671
Molecular FormulaC28H30Br2
Molecular Weight526.36 g/mol
Exact Mass524.07
IUPAC Name2,8-bis(bromomethyl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene;ethane
SMILESCC.CC1(C)c2cc(CBr)ccc2-c2cc3c(cc21)-c1ccc(CBr)cc1C3(C)C
InChIInChI=1S/C26H24Br2.C2H6/c1-25(2)21-9-15(13-27)5-7-17(21)19-12-24-20(11-23(19)25)18-8-6-16(14-28)10-22(18)26(24,3)4;1-2/h5-12H,13-14H2,1-4H3;1-2H3
InChIKeyWBROVSANZZYGLD-UHFFFAOYSA-N
XLogP9.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.36
LogP ≤ 59.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,8-bis(bromomethyl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene;ethane?
The IUPAC name of 2,8-bis(bromomethyl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene;ethane (CID 143467671) is 2,8-bis(bromomethyl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene;ethane.
What is the SMILES notation for 2,8-bis(bromomethyl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene;ethane?
The canonical SMILES for 2,8-bis(bromomethyl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene;ethane is CC.CC1(C)c2cc(CBr)ccc2-c2cc3c(cc21)-c1ccc(CBr)cc1C3(C)C.
What is the InChIKey of 2,8-bis(bromomethyl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene;ethane?
The InChIKey is WBROVSANZZYGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Br2.C2H6/c1-25(2)21-9-15(13-27)5-7-17(21)19-12-24-20(11-23(19)25)18-8-6-16(14-28)10-22(18)26(24,3)4;1-2/h5-12H,13-14H2,1-4H3;1-2H3.
What are the key properties of 2,8-bis(bromomethyl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene;ethane?
2,8-bis(bromomethyl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene;ethane has a molecular weight of 526.36 g/mol, XLogP of 9.12, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-bis(bromomethyl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene;ethane is sourced from PubChem (CID 143467671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).