3,6-bis(4-bromophenyl)-10,10-dimethylanthracen-9-one

C28H20Br2O — CID 142288098

IUPAC3,6-bis(4-bromophenyl)-10,10-dimethylanthracen-9-one
SMILESCC1(C)c2cc(-c3ccc(Br)cc3)ccc2C(=O)c2ccc(-c3ccc(Br)cc3)cc21
InChIInChI=1S/C28H20Br2O/c1-28(2)25-15-19(17-3-9-21(29)10-4-17)7-13-23(25)27(31)24-14-8-20(16-26(24)28)18-5-11-22(30)12-6-18/h3-16H,1-2H3
InChIKeyIMAQIKHMGWDNQO-UHFFFAOYSA-N
MW532.28 g/mol
LogP8.42
Rot. Bonds2

About 3,6-bis(4-bromophenyl)-10,10-dimethylanthracen-9-one

3,6-bis(4-bromophenyl)-10,10-dimethylanthracen-9-one (PubChem CID 142288098) has the molecular formula C28H20Br2O and a molecular weight of 532.28 g/mol. Its IUPAC name is 3,6-bis(4-bromophenyl)-10,10-dimethylanthracen-9-one.

Molecular Properties

Compound Name3,6-bis(4-bromophenyl)-10,10-dimethylanthracen-9-one
PubChem CID142288098
Molecular FormulaC28H20Br2O
Molecular Weight532.28 g/mol
Exact Mass529.99
IUPAC Name3,6-bis(4-bromophenyl)-10,10-dimethylanthracen-9-one
SMILESCC1(C)c2cc(-c3ccc(Br)cc3)ccc2C(=O)c2ccc(-c3ccc(Br)cc3)cc21
InChIInChI=1S/C28H20Br2O/c1-28(2)25-15-19(17-3-9-21(29)10-4-17)7-13-23(25)27(31)24-14-8-20(16-26(24)28)18-5-11-22(30)12-6-18/h3-16H,1-2H3
InChIKeyIMAQIKHMGWDNQO-UHFFFAOYSA-N
XLogP8.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.28
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58939597
2-bromo-9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluorene
CID 66667960
2-(7-bromo-9,9-dimethylfluoren-2-yl)triphenylene
CID 171571856
4-[7-(4-hydroxyphenyl)-9,9-dimethylfluoren-2-yl]phenol
CID 18714128
2,7-bis(3,5-diphenylphenyl)-9,9-dimethylfluorene
CID 59217114
2-(3,5-diphenylphenyl)-7-[4-[7-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58880913
2-(4-bromophenyl)-7-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole
CID 142754174
3,6-di(dibenzofuran-4-yl)-10,10-dimethylanthracen-9-one
CID 71260985
2-bromo-6,6,12,12-tetramethyl-8-(2-phenylphenyl)indeno[1,2-b]fluorene
CID 86722507
2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene
CID 58880971
2-[9,9-dimethyl-7-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]fluorene
CID 123193635
3,6-dibromo-10,10-bis(trifluoromethyl)anthracen-9-one
CID 178176795

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(4-bromophenyl)-10,10-dimethylanthracen-9-one?
The IUPAC name of 3,6-bis(4-bromophenyl)-10,10-dimethylanthracen-9-one (CID 142288098) is 3,6-bis(4-bromophenyl)-10,10-dimethylanthracen-9-one.
What is the SMILES notation for 3,6-bis(4-bromophenyl)-10,10-dimethylanthracen-9-one?
The canonical SMILES for 3,6-bis(4-bromophenyl)-10,10-dimethylanthracen-9-one is CC1(C)c2cc(-c3ccc(Br)cc3)ccc2C(=O)c2ccc(-c3ccc(Br)cc3)cc21.
What is the InChIKey of 3,6-bis(4-bromophenyl)-10,10-dimethylanthracen-9-one?
The InChIKey is IMAQIKHMGWDNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20Br2O/c1-28(2)25-15-19(17-3-9-21(29)10-4-17)7-13-23(25)27(31)24-14-8-20(16-26(24)28)18-5-11-22(30)12-6-18/h3-16H,1-2H3.
What are the key properties of 3,6-bis(4-bromophenyl)-10,10-dimethylanthracen-9-one?
3,6-bis(4-bromophenyl)-10,10-dimethylanthracen-9-one has a molecular weight of 532.28 g/mol, XLogP of 8.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(4-bromophenyl)-10,10-dimethylanthracen-9-one is sourced from PubChem (CID 142288098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).