4-bromo-2,7,9-trimethyl-9-phenylfluorene

C22H19Br — CID 166464478

IUPAC4-bromo-2,7,9-trimethyl-9-phenylfluorene
SMILESCc1ccc2c(c1)C(C)(c1ccccc1)c1cc(C)cc(Br)c1-2
InChIInChI=1S/C22H19Br/c1-14-9-10-17-18(11-14)22(3,16-7-5-4-6-8-16)19-12-15(2)13-20(23)21(17)19/h4-13H,1-3H3
InChIKeyCGAVTTTVUFLKKD-UHFFFAOYSA-N
MW363.30 g/mol
LogP6.40
Rot. Bonds1

About 4-bromo-2,7,9-trimethyl-9-phenylfluorene

4-bromo-2,7,9-trimethyl-9-phenylfluorene (PubChem CID 166464478) has the molecular formula C22H19Br and a molecular weight of 363.30 g/mol. Its IUPAC name is 4-bromo-2,7,9-trimethyl-9-phenylfluorene.

Molecular Properties

Compound Name4-bromo-2,7,9-trimethyl-9-phenylfluorene
PubChem CID166464478
Molecular FormulaC22H19Br
Molecular Weight363.30 g/mol
Exact Mass362.07
IUPAC Name4-bromo-2,7,9-trimethyl-9-phenylfluorene
SMILESCc1ccc2c(c1)C(C)(c1ccccc1)c1cc(C)cc(Br)c1-2
InChIInChI=1S/C22H19Br/c1-14-9-10-17-18(11-14)22(3,16-7-5-4-6-8-16)19-12-15(2)13-20(23)21(17)19/h4-13H,1-3H3
InChIKeyCGAVTTTVUFLKKD-UHFFFAOYSA-N
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.30
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-bromo-2,7-ditert-butyl-9-methyl-9-phenylfluorene
CID 166464533
5-bromo-9-methyl-7,7-diphenylbenzo[c]fluorene
CID 142714191
4-(7,9-dimethyl-9-phenylfluoren-4-yl)-2,6-diphenylpyrimidine
CID 154618871
5,11-bis(7,9-dimethyl-9-phenylfluoren-2-yl)-2,8-dimethylindolo[3,2-b]carbazole
CID 129133615
2,7-dibromo-9-methyl-9-(3-methylphenyl)fluorene
CID 129015680
2,6-dibromo-9-methyl-9-phenylfluorene
CID 167225075
methane;2-methyl-9,9-diphenylfluorene
CID 144583572
9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7,9-trimethylfluorene
CID 157283821
3,4-bis(ethenyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]-7,9-dimethyl-N-naphthalen-1-yl-9-phenylfluoren-2-amine
CID 144614370
2,4-dimethyl-9,9-diphenylfluorene
CID 144876512
1,2,3-tribromo-7,9,9-trimethylfluorene
CID 58352111
2-methyl-9,9-diphenyl-7-(4-phenylphenyl)fluorene
CID 144950232

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,7,9-trimethyl-9-phenylfluorene?
The IUPAC name of 4-bromo-2,7,9-trimethyl-9-phenylfluorene (CID 166464478) is 4-bromo-2,7,9-trimethyl-9-phenylfluorene.
What is the SMILES notation for 4-bromo-2,7,9-trimethyl-9-phenylfluorene?
The canonical SMILES for 4-bromo-2,7,9-trimethyl-9-phenylfluorene is Cc1ccc2c(c1)C(C)(c1ccccc1)c1cc(C)cc(Br)c1-2.
What is the InChIKey of 4-bromo-2,7,9-trimethyl-9-phenylfluorene?
The InChIKey is CGAVTTTVUFLKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Br/c1-14-9-10-17-18(11-14)22(3,16-7-5-4-6-8-16)19-12-15(2)13-20(23)21(17)19/h4-13H,1-3H3.
What are the key properties of 4-bromo-2,7,9-trimethyl-9-phenylfluorene?
4-bromo-2,7,9-trimethyl-9-phenylfluorene has a molecular weight of 363.30 g/mol, XLogP of 6.40, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,7,9-trimethyl-9-phenylfluorene is sourced from PubChem (CID 166464478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).