2-bromo-9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluorene

C30H19BrF6 — CID 59512956

IUPAC2-bromo-9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluorene
SMILESCC1(C(F)(F)F)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C(F)(F)F)c3cc(Br)ccc3-4)cc21
InChIInChI=1S/C30H19BrF6/c1-27(29(32,33)34)23-6-4-3-5-19(23)20-10-7-16(13-24(20)27)17-8-11-21-22-12-9-18(31)15-26(22)28(2,25(21)14-17)30(35,36)37/h3-15H,1-2H3
InChIKeyORKXNSCBADKSOX-UHFFFAOYSA-N
MW573.37 g/mol
LogP9.81
Rot. Bonds1

About 2-bromo-9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluorene

2-bromo-9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluorene (PubChem CID 59512956) has the molecular formula C30H19BrF6 and a molecular weight of 573.37 g/mol. Its IUPAC name is 2-bromo-9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluorene.

Molecular Properties

Compound Name2-bromo-9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluorene
PubChem CID59512956
Molecular FormulaC30H19BrF6
Molecular Weight573.37 g/mol
Exact Mass572.06
IUPAC Name2-bromo-9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluorene
SMILESCC1(C(F)(F)F)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C(F)(F)F)c3cc(Br)ccc3-4)cc21
InChIInChI=1S/C30H19BrF6/c1-27(29(32,33)34)23-6-4-3-5-19(23)20-10-7-16(13-24(20)27)17-8-11-21-22-12-9-18(31)15-26(22)28(2,25(21)14-17)30(35,36)37/h3-15H,1-2H3
InChIKeyORKXNSCBADKSOX-UHFFFAOYSA-N
XLogP9.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.37
LogP ≤ 59.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,9-dimethyl-7-[9-methyl-7-[9-methyl-7-[9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluorene
CID 59512862
2-(9,9-dimethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-methyl-9-(trifluoromethyl)fluorene
CID 59005083
2-bromo-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58939597
4,4,5,5-tetramethyl-2-[9-methyl-7-[9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-1,3,2-dioxaborolane
CID 59512924
2,3,6,7-tetrakis(9,9-dimethylfluoren-2-yl)-9-methyl-9-(trifluoromethyl)fluorene
CID 59245648
7,12-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]benzo[k]fluoranthene
CID 59404128
2-bromo-9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluorene
CID 66667960
9,9-diethyl-2,7-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-3,6-diphenylfluorene
CID 59245613
2-(7-bromo-9,9-dimethylfluoren-2-yl)triphenylene
CID 171571856
6-(7-bromo-9,9-dimethylfluoren-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]
CID 145144830
2-bromo-6,6,12,12-tetramethyl-8-(2-phenylphenyl)indeno[1,2-b]fluorene
CID 86722507
2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767

Frequently Asked Questions

What is the IUPAC name of 2-bromo-9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluorene?
The IUPAC name of 2-bromo-9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluorene (CID 59512956) is 2-bromo-9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluorene.
What is the SMILES notation for 2-bromo-9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluorene?
The canonical SMILES for 2-bromo-9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluorene is CC1(C(F)(F)F)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C(F)(F)F)c3cc(Br)ccc3-4)cc21.
What is the InChIKey of 2-bromo-9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluorene?
The InChIKey is ORKXNSCBADKSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19BrF6/c1-27(29(32,33)34)23-6-4-3-5-19(23)20-10-7-16(13-24(20)27)17-8-11-21-22-12-9-18(31)15-26(22)28(2,25(21)14-17)30(35,36)37/h3-15H,1-2H3.
What are the key properties of 2-bromo-9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluorene?
2-bromo-9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluorene has a molecular weight of 573.37 g/mol, XLogP of 9.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluorene is sourced from PubChem (CID 59512956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).