2,7-dibromo-10,10-dimethyl-9H-anthracene

C16H14Br2 — CID 141458589

IUPAC2,7-dibromo-10,10-dimethyl-9H-anthracene
SMILESCC1(C)c2ccc(Br)cc2Cc2cc(Br)ccc21
InChIInChI=1S/C16H14Br2/c1-16(2)14-5-3-12(17)8-10(14)7-11-9-13(18)4-6-15(11)16/h3-6,8-9H,7H2,1-2H3
InChIKeyDPZMIKGQCZIHRJ-UHFFFAOYSA-N
MW366.10 g/mol
LogP5.44
Rot. Bonds

About 2,7-dibromo-10,10-dimethyl-9H-anthracene

2,7-dibromo-10,10-dimethyl-9H-anthracene (PubChem CID 141458589) has the molecular formula C16H14Br2 and a molecular weight of 366.10 g/mol. Its IUPAC name is 2,7-dibromo-10,10-dimethyl-9H-anthracene.

Molecular Properties

Compound Name2,7-dibromo-10,10-dimethyl-9H-anthracene
PubChem CID141458589
Molecular FormulaC16H14Br2
Molecular Weight366.10 g/mol
Exact Mass363.95
IUPAC Name2,7-dibromo-10,10-dimethyl-9H-anthracene
SMILESCC1(C)c2ccc(Br)cc2Cc2cc(Br)ccc21
InChIInChI=1S/C16H14Br2/c1-16(2)14-5-3-12(17)8-10(14)7-11-9-13(18)4-6-15(11)16/h3-6,8-9H,7H2,1-2H3
InChIKeyDPZMIKGQCZIHRJ-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.10
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7-bromo-3,3,4,4-tetramethyl-1,2-dihydronaphthalene
CID 175335793
6-bromo-3,3-diethyl-1H-inden-2-one
CID 58375843
2-bromo-7-methyl-9H-fluorene
CID 21041918
5-bromo-2-methyl-1,3-dihydroinden-2-ol
CID 122530552
bromomethane;2,7-dibromo-9,9-dimethylfluorene;9,9-dimethylfluorene;9H-fluorene;molecular bromine
CID 159345620
6-bromo-1,1-dimethyl-3,4-dihydroisochromene
CID 139328426
CID 16754304
CID 16754304
6-bromospiro[1,2-dihydroindene-3,1'-cyclopropane];ethane
CID 145339117
6-bromo-3,3-dimethyl-2,4-dihydro-1H-naphthalene
CID 144794657
6-bromo-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene
CID 162045632
2,7-dibromo-9,9-dimethyl-10H-acridine
CID 67414167
6-bromospiro[1H-indene-3,3'-thietane]-2-one
CID 58221476

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-10,10-dimethyl-9H-anthracene?
The IUPAC name of 2,7-dibromo-10,10-dimethyl-9H-anthracene (CID 141458589) is 2,7-dibromo-10,10-dimethyl-9H-anthracene.
What is the SMILES notation for 2,7-dibromo-10,10-dimethyl-9H-anthracene?
The canonical SMILES for 2,7-dibromo-10,10-dimethyl-9H-anthracene is CC1(C)c2ccc(Br)cc2Cc2cc(Br)ccc21.
What is the InChIKey of 2,7-dibromo-10,10-dimethyl-9H-anthracene?
The InChIKey is DPZMIKGQCZIHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2/c1-16(2)14-5-3-12(17)8-10(14)7-11-9-13(18)4-6-15(11)16/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 2,7-dibromo-10,10-dimethyl-9H-anthracene?
2,7-dibromo-10,10-dimethyl-9H-anthracene has a molecular weight of 366.10 g/mol, XLogP of 5.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-10,10-dimethyl-9H-anthracene is sourced from PubChem (CID 141458589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).