2,7,9-tribromo-9-[bromo-(2,5-dimethylphenyl)methyl]fluorene

C22H16Br4 — CID 10651210

IUPAC2,7,9-tribromo-9-[bromo-(2,5-dimethylphenyl)methyl]fluorene
SMILESCc1ccc(C)c(C(Br)C2(Br)c3cc(Br)ccc3-c3ccc(Br)cc32)c1
InChIInChI=1S/C22H16Br4/c1-12-3-4-13(2)18(9-12)21(25)22(26)19-10-14(23)5-7-16(19)17-8-6-15(24)11-20(17)22/h3-11,21H,1-2H3
InChIKeyYFWHFZLRKVYCTA-UHFFFAOYSA-N
MW599.99 g/mol
LogP8.58
Rot. Bonds2

About 2,7,9-tribromo-9-[bromo-(2,5-dimethylphenyl)methyl]fluorene

2,7,9-tribromo-9-[bromo-(2,5-dimethylphenyl)methyl]fluorene (PubChem CID 10651210) has the molecular formula C22H16Br4 and a molecular weight of 599.99 g/mol. Its IUPAC name is 2,7,9-tribromo-9-[bromo-(2,5-dimethylphenyl)methyl]fluorene.

Molecular Properties

Compound Name2,7,9-tribromo-9-[bromo-(2,5-dimethylphenyl)methyl]fluorene
PubChem CID10651210
Molecular FormulaC22H16Br4
Molecular Weight599.99 g/mol
Exact Mass595.80
IUPAC Name2,7,9-tribromo-9-[bromo-(2,5-dimethylphenyl)methyl]fluorene
SMILESCc1ccc(C)c(C(Br)C2(Br)c3cc(Br)ccc3-c3ccc(Br)cc32)c1
InChIInChI=1S/C22H16Br4/c1-12-3-4-13(2)18(9-12)21(25)22(26)19-10-14(23)5-7-16(19)17-8-6-15(24)11-20(17)22/h3-11,21H,1-2H3
InChIKeyYFWHFZLRKVYCTA-UHFFFAOYSA-N
XLogP8.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.99
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-7-methyl-9,9-bis(3-methylphenyl)fluorene
CID 160868651
2,7-dibromo-9,9-bis(3-methylphenyl)fluorene
CID 58371139
2-[bromo-(5-bromo-2-iodophenyl)methyl]-1,4-dimethylbenzene
CID 114033427
2-bromo-7-methylspiro[fluorene-9,4'-piperidine]
CID 122492124
(2,4-dibromophenyl)-(2,5-dimethylphenyl)methanol
CID 114019435
2,7-dibromo-9-methyl-9-(3-methylphenyl)fluorene
CID 129015680
bromo-(2,5-dimethylphenyl)methanamine
CID 116947555
1-[bromo-(2,5-dimethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene
CID 63437609
(3-bromophenyl)-(2,5-dimethylphenyl)methanol
CID 61089224
N-[4-[2,7-dibromo-9-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 59398831
2-[bromo-(2,5-dimethylphenyl)methyl]-3,5-dimethylthiophene
CID 81158563
2-bromo-9-(4-methylphenyl)-9-phenylfluorene
CID 58174872

Frequently Asked Questions

What is the IUPAC name of 2,7,9-tribromo-9-[bromo-(2,5-dimethylphenyl)methyl]fluorene?
The IUPAC name of 2,7,9-tribromo-9-[bromo-(2,5-dimethylphenyl)methyl]fluorene (CID 10651210) is 2,7,9-tribromo-9-[bromo-(2,5-dimethylphenyl)methyl]fluorene.
What is the SMILES notation for 2,7,9-tribromo-9-[bromo-(2,5-dimethylphenyl)methyl]fluorene?
The canonical SMILES for 2,7,9-tribromo-9-[bromo-(2,5-dimethylphenyl)methyl]fluorene is Cc1ccc(C)c(C(Br)C2(Br)c3cc(Br)ccc3-c3ccc(Br)cc32)c1.
What is the InChIKey of 2,7,9-tribromo-9-[bromo-(2,5-dimethylphenyl)methyl]fluorene?
The InChIKey is YFWHFZLRKVYCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Br4/c1-12-3-4-13(2)18(9-12)21(25)22(26)19-10-14(23)5-7-16(19)17-8-6-15(24)11-20(17)22/h3-11,21H,1-2H3.
What are the key properties of 2,7,9-tribromo-9-[bromo-(2,5-dimethylphenyl)methyl]fluorene?
2,7,9-tribromo-9-[bromo-(2,5-dimethylphenyl)methyl]fluorene has a molecular weight of 599.99 g/mol, XLogP of 8.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,9-tribromo-9-[bromo-(2,5-dimethylphenyl)methyl]fluorene is sourced from PubChem (CID 10651210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).