1,2,3,4,5,6-hexabromo-9,9'-spirobi[fluorene]

C25H10Br6 — CID 22016044

IUPAC1,2,3,4,5,6-hexabromo-9,9'-spirobi[fluorene]
SMILESBrc1ccc2c(c1Br)-c1c(Br)c(Br)c(Br)c(Br)c1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C25H10Br6/c26-16-10-9-15-17(20(16)27)18-19(22(29)24(31)23(30)21(18)28)25(15)13-7-3-1-5-11(13)12-6-2-4-8-14(12)25/h1-10H
InChIKeyKKXCGTVUTXSJGM-UHFFFAOYSA-N
MW789.78 g/mol
LogP10.61
Rot. Bonds

About 1,2,3,4,5,6-hexabromo-9,9'-spirobi[fluorene]

1,2,3,4,5,6-hexabromo-9,9'-spirobi[fluorene] (PubChem CID 22016044) has the molecular formula C25H10Br6 and a molecular weight of 789.78 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexabromo-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name1,2,3,4,5,6-hexabromo-9,9'-spirobi[fluorene]
PubChem CID22016044
Molecular FormulaC25H10Br6
Molecular Weight789.78 g/mol
Exact Mass783.59
IUPAC Name1,2,3,4,5,6-hexabromo-9,9'-spirobi[fluorene]
SMILESBrc1ccc2c(c1Br)-c1c(Br)c(Br)c(Br)c(Br)c1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C25H10Br6/c26-16-10-9-15-17(20(16)27)18-19(22(29)24(31)23(30)21(18)28)25(15)13-7-3-1-5-11(13)12-6-2-4-8-14(12)25/h1-10H
InChIKeyKKXCGTVUTXSJGM-UHFFFAOYSA-N
XLogP10.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.78
LogP ≤ 510.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

4-bromospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 121391692
CID 102532137
CID 102532137
4-bromo-3-iodo-9,9'-spirobi[fluorene]
CID 156756658
4'-bromo-4-chloro-9,9'-spirobi[fluorene]
CID 139434314
9'-bromo-2-tert-butylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]
CID 153288141
4-bromo-4'-methyl-9,9'-spirobi[fluorene]
CID 123165749
7-bromospiro[benzo[a]fluorene-11,9'-fluorene]
CID 134194078
4-bromospiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]
CID 134528270
4'-methyl-9,9'-spirobi[fluorene]
CID 91359179
1-bromo-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 142567703
4'-bromo-2'-chloro-9,9'-spirobi[fluorene]
CID 155003673
5-bromospiro[benzo[c]fluorene-7,9'-fluorene];spiro[benzo[c]fluorene-7,9'-fluorene]
CID 158615914

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6-hexabromo-9,9'-spirobi[fluorene]?
The IUPAC name of 1,2,3,4,5,6-hexabromo-9,9'-spirobi[fluorene] (CID 22016044) is 1,2,3,4,5,6-hexabromo-9,9'-spirobi[fluorene].
What is the SMILES notation for 1,2,3,4,5,6-hexabromo-9,9'-spirobi[fluorene]?
The canonical SMILES for 1,2,3,4,5,6-hexabromo-9,9'-spirobi[fluorene] is Brc1ccc2c(c1Br)-c1c(Br)c(Br)c(Br)c(Br)c1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 1,2,3,4,5,6-hexabromo-9,9'-spirobi[fluorene]?
The InChIKey is KKXCGTVUTXSJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H10Br6/c26-16-10-9-15-17(20(16)27)18-19(22(29)24(31)23(30)21(18)28)25(15)13-7-3-1-5-11(13)12-6-2-4-8-14(12)25/h1-10H.
What are the key properties of 1,2,3,4,5,6-hexabromo-9,9'-spirobi[fluorene]?
1,2,3,4,5,6-hexabromo-9,9'-spirobi[fluorene] has a molecular weight of 789.78 g/mol, XLogP of 10.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6-hexabromo-9,9'-spirobi[fluorene] is sourced from PubChem (CID 22016044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).