2-bromo-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene

C45H37Br — CID 58939597

IUPAC2-bromo-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(Br)ccc5-6)ccc3-4)cc21
InChIInChI=1S/C45H37Br/c1-43(2)37-10-8-7-9-31(37)32-16-11-26(21-38(32)43)27-12-17-33-34-18-13-28(23-40(34)44(3,4)39(33)22-27)29-14-19-35-36-20-15-30(46)25-42(36)45(5,6)41(35)24-29/h7-25H,1-6H3
InChIKeyFUQVOOQSFRWKQS-UHFFFAOYSA-N
MW657.70 g/mol
LogP12.70
Rot. Bonds2

About 2-bromo-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene

2-bromo-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene (PubChem CID 58939597) has the molecular formula C45H37Br and a molecular weight of 657.70 g/mol. Its IUPAC name is 2-bromo-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene.

Molecular Properties

Compound Name2-bromo-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
PubChem CID58939597
Molecular FormulaC45H37Br
Molecular Weight657.70 g/mol
Exact Mass656.21
IUPAC Name2-bromo-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(Br)ccc5-6)ccc3-4)cc21
InChIInChI=1S/C45H37Br/c1-43(2)37-10-8-7-9-31(37)32-16-11-26(21-38(32)43)27-12-17-33-34-18-13-28(23-40(34)44(3,4)39(33)22-27)29-14-19-35-36-20-15-30(46)25-42(36)45(5,6)41(35)24-29/h7-25H,1-6H3
InChIKeyFUQVOOQSFRWKQS-UHFFFAOYSA-N
XLogP12.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.70
LogP ≤ 512.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-bromo-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene with MolForge

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Related Compounds

2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
2-(7-bromo-9,9-dimethylfluoren-2-yl)triphenylene
CID 171571856
3-bromo-7-(9,9-dimethylfluoren-2-yl)dibenzothiophene
CID 130250823
2-bromo-6,6,12,12-tetramethyl-8-(2-phenylphenyl)indeno[1,2-b]fluorene
CID 86722507
2-bromo-9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluorene
CID 66667960
2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 59133445
2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene
CID 58351434
2-(4-bromo-2-nitrophenyl)-9,9-dimethylfluorene
CID 58501439
3-(7-bromo-9,9-dimethylfluoren-2-yl)spiro[benzo[a]fluorene-11,9'-fluorene]
CID 145144872
2-bromo-9,9-bis(9,9-dimethylfluoren-2-yl)fluorene
CID 118245876
2-(5-bromo-2-nitrophenyl)-9,9-dimethylfluorene
CID 130288813

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene?
The IUPAC name of 2-bromo-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene (CID 58939597) is 2-bromo-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene.
What is the SMILES notation for 2-bromo-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene?
The canonical SMILES for 2-bromo-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(Br)ccc5-6)ccc3-4)cc21.
What is the InChIKey of 2-bromo-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene?
The InChIKey is FUQVOOQSFRWKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H37Br/c1-43(2)37-10-8-7-9-31(37)32-16-11-26(21-38(32)43)27-12-17-33-34-18-13-28(23-40(34)44(3,4)39(33)22-27)29-14-19-35-36-20-15-30(46)25-42(36)45(5,6)41(35)24-29/h7-25H,1-6H3.
What are the key properties of 2-bromo-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene?
2-bromo-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene has a molecular weight of 657.70 g/mol, XLogP of 12.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene is sourced from PubChem (CID 58939597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).