1,2,3-tribromo-7,9,9-trimethylfluorene

C16H13Br3 — CID 58352111

IUPAC1,2,3-tribromo-7,9,9-trimethylfluorene
SMILESCc1ccc2c(c1)C(C)(C)c1c-2cc(Br)c(Br)c1Br
InChIInChI=1S/C16H13Br3/c1-8-4-5-9-10-7-12(17)14(18)15(19)13(10)16(2,3)11(9)6-8/h4-7H,1-3H3
InChIKeyIGTORSWMVLRWAT-UHFFFAOYSA-N
MW444.99 g/mol
LogP6.59
Rot. Bonds

About 1,2,3-tribromo-7,9,9-trimethylfluorene

1,2,3-tribromo-7,9,9-trimethylfluorene (PubChem CID 58352111) has the molecular formula C16H13Br3 and a molecular weight of 444.99 g/mol. Its IUPAC name is 1,2,3-tribromo-7,9,9-trimethylfluorene.

Molecular Properties

Compound Name1,2,3-tribromo-7,9,9-trimethylfluorene
PubChem CID58352111
Molecular FormulaC16H13Br3
Molecular Weight444.99 g/mol
Exact Mass441.86
IUPAC Name1,2,3-tribromo-7,9,9-trimethylfluorene
SMILESCc1ccc2c(c1)C(C)(C)c1c-2cc(Br)c(Br)c1Br
InChIInChI=1S/C16H13Br3/c1-8-4-5-9-10-7-12(17)14(18)15(19)13(10)16(2,3)11(9)6-8/h4-7H,1-3H3
InChIKeyIGTORSWMVLRWAT-UHFFFAOYSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.99
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,7,9,9-tetramethylfluorene
CID 22951928
2,6,9,9-tetramethylfluorene
CID 23527438
3,9,11,11-tetramethylbenzo[a]fluorene
CID 59806680
2,9,9-trimethyl-7-[3-(7,9,9-trimethylfluoren-2-yl)phenyl]fluorene
CID 58943521
3,6,15,15,18-pentamethylhexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaen-3-amine
CID 139438660
1,1,6-trimethyl-2,3-dimethylideneindene
CID 145331674
7,10,19,28,31,31-hexamethylnonacyclo[18.15.0.02,18.05,17.06,14.08,13.021,33.024,32.025,30]pentatriaconta-1(20),2(18),3,5(17),6(14),8(13),9,11,15,21(33),22,24(32),25(30),26,28,34-hexadecaene-7,19-diamine
CID 139438661
ethane;methane;2,9,9-trimethylfluorene
CID 144920604
ethane;9-fluoro-2,7,9-trimethylfluorene
CID 142891538
2-ethyl-7,9,9-trimethylfluorene
CID 59167125
2-bromo-7-methyl-9,9-bis(3-methylphenyl)fluorene
CID 160868651
2,6,6,10,12,12-hexamethylindeno[1,2-b]fluorene
CID 142540848

Frequently Asked Questions

What is the IUPAC name of 1,2,3-tribromo-7,9,9-trimethylfluorene?
The IUPAC name of 1,2,3-tribromo-7,9,9-trimethylfluorene (CID 58352111) is 1,2,3-tribromo-7,9,9-trimethylfluorene.
What is the SMILES notation for 1,2,3-tribromo-7,9,9-trimethylfluorene?
The canonical SMILES for 1,2,3-tribromo-7,9,9-trimethylfluorene is Cc1ccc2c(c1)C(C)(C)c1c-2cc(Br)c(Br)c1Br.
What is the InChIKey of 1,2,3-tribromo-7,9,9-trimethylfluorene?
The InChIKey is IGTORSWMVLRWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Br3/c1-8-4-5-9-10-7-12(17)14(18)15(19)13(10)16(2,3)11(9)6-8/h4-7H,1-3H3.
What are the key properties of 1,2,3-tribromo-7,9,9-trimethylfluorene?
1,2,3-tribromo-7,9,9-trimethylfluorene has a molecular weight of 444.99 g/mol, XLogP of 6.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tribromo-7,9,9-trimethylfluorene is sourced from PubChem (CID 58352111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).