bis(1,2,3,4-tetrabromo-9H-fluorene);carbonate

C27H12Br8O3-2 — CID 19940173

IUPACbis(1,2,3,4-tetrabromo-9H-fluorene);carbonate
SMILESBrc1c(Br)c(Br)c2c(c1Br)Cc1ccccc1-2.Brc1c(Br)c(Br)c2c(c1Br)Cc1ccccc1-2.O=C([O-])[O-]
InChIInChI=1S/2C13H6Br4.CH2O3/c2*14-10-8-5-6-3-1-2-4-7(6)9(8)11(15)13(17)12(10)16;2-1(3)4/h2*1-4H,5H2;(H2,2,3,4)/p-2
InChIKeyFOJPUXMRBRVMOB-UHFFFAOYSA-L
MW1023.62 g/mol
LogP10.17
Rot. Bonds

About bis(1,2,3,4-tetrabromo-9H-fluorene);carbonate

bis(1,2,3,4-tetrabromo-9H-fluorene);carbonate (PubChem CID 19940173) has the molecular formula C27H12Br8O3-2 and a molecular weight of 1023.62 g/mol. Its IUPAC name is bis(1,2,3,4-tetrabromo-9H-fluorene);carbonate.

Molecular Properties

Compound Namebis(1,2,3,4-tetrabromo-9H-fluorene);carbonate
PubChem CID19940173
Molecular FormulaC27H12Br8O3-2
Molecular Weight1023.62 g/mol
Exact Mass1015.43
IUPAC Namebis(1,2,3,4-tetrabromo-9H-fluorene);carbonate
SMILESBrc1c(Br)c(Br)c2c(c1Br)Cc1ccccc1-2.Brc1c(Br)c(Br)c2c(c1Br)Cc1ccccc1-2.O=C([O-])[O-]
InChIInChI=1S/2C13H6Br4.CH2O3/c2*14-10-8-5-6-3-1-2-4-7(6)9(8)11(15)13(17)12(10)16;2-1(3)4/h2*1-4H,5H2;(H2,2,3,4)/p-2
InChIKeyFOJPUXMRBRVMOB-UHFFFAOYSA-L
XLogP10.17
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001023.62
LogP ≤ 510.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

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1,2,3,4-tetrahydroxy-10H-anthracen-9-one
CID 91457355
3,4-dibromo-1,2-dihexyl-9H-fluorene
CID 23031046
(4-bromophenyl)-(9H-fluoren-4-yl)methanone
CID 71390046
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CID 162313144
acetic acid;azane;9H-fluorene
CID 174966259
benzene;3,4-dibromo-9H-fluorene
CID 159679673
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
9H-fluorene-1,2,3,4-tetramine
CID 67197336
ethene;9H-fluorene
CID 159544077

Frequently Asked Questions

What is the IUPAC name of bis(1,2,3,4-tetrabromo-9H-fluorene);carbonate?
The IUPAC name of bis(1,2,3,4-tetrabromo-9H-fluorene);carbonate (CID 19940173) is bis(1,2,3,4-tetrabromo-9H-fluorene);carbonate.
What is the SMILES notation for bis(1,2,3,4-tetrabromo-9H-fluorene);carbonate?
The canonical SMILES for bis(1,2,3,4-tetrabromo-9H-fluorene);carbonate is Brc1c(Br)c(Br)c2c(c1Br)Cc1ccccc1-2.Brc1c(Br)c(Br)c2c(c1Br)Cc1ccccc1-2.O=C([O-])[O-].
What is the InChIKey of bis(1,2,3,4-tetrabromo-9H-fluorene);carbonate?
The InChIKey is FOJPUXMRBRVMOB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C13H6Br4.CH2O3/c2*14-10-8-5-6-3-1-2-4-7(6)9(8)11(15)13(17)12(10)16;2-1(3)4/h2*1-4H,5H2;(H2,2,3,4)/p-2.
What are the key properties of bis(1,2,3,4-tetrabromo-9H-fluorene);carbonate?
bis(1,2,3,4-tetrabromo-9H-fluorene);carbonate has a molecular weight of 1023.62 g/mol, XLogP of 10.17, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2,3,4-tetrabromo-9H-fluorene);carbonate is sourced from PubChem (CID 19940173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).