5',9'-dibromospiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]

C31H16Br2O — CID 122634674

IUPAC5',9'-dibromospiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]
SMILESBrc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(Br)c3c(oc4ccccc43)c1-2
InChIInChI=1S/C31H16Br2O/c32-17-13-14-20-24(15-17)31(22-10-4-1-7-18(22)19-8-2-5-11-23(19)31)25-16-26(33)29-21-9-3-6-12-27(21)34-30(29)28(20)25/h1-16H
InChIKeyDDYHOFOLBMVEPM-UHFFFAOYSA-N
MW564.28 g/mol
LogP9.45
Rot. Bonds

About 5',9'-dibromospiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]

5',9'-dibromospiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran] (PubChem CID 122634674) has the molecular formula C31H16Br2O and a molecular weight of 564.28 g/mol. Its IUPAC name is 5',9'-dibromospiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran].

Molecular Properties

Compound Name5',9'-dibromospiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]
PubChem CID122634674
Molecular FormulaC31H16Br2O
Molecular Weight564.28 g/mol
Exact Mass561.96
IUPAC Name5',9'-dibromospiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]
SMILESBrc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(Br)c3c(oc4ccccc43)c1-2
InChIInChI=1S/C31H16Br2O/c32-17-13-14-20-24(15-17)31(22-10-4-1-7-18(22)19-8-2-5-11-23(19)31)25-16-26(33)29-21-9-3-6-12-27(21)34-30(29)28(20)25/h1-16H
InChIKeyDDYHOFOLBMVEPM-UHFFFAOYSA-N
XLogP9.45
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.28
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5',9'-dibromospiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran] with MolForge

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Related Compounds

12,22-dibromo-15,15,19,19-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2,5,7,9,11,13,17,20(25),21,23,26-dodecaene
CID 142355688
5',9'-dibromospiro[fluoreno[4,3-b][1]benzofuran-7,7'-fluoreno[4,3-b][1]benzothiole]
CID 129193384
12,18-dibromo-2',7'-dichlorospiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]
CID 138662248
CID 163784873
CID 163784873
16,30-dibromo-22-oxaheptacyclo[18.11.0.02,7.08,13.014,19.021,29.023,28]hentriaconta-1(31),2,4,6,8,10,12,14(19),15,17,20,23,25,27,29-pentadecaene
CID 137101997
5-bromo-7,7-dimethylfluoreno[4,3-b][1]benzofuran;7,7-dimethylfluoreno[4,3-b][1]benzofuran
CID 157381043
2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-yl-1,3,5-triazine
CID 122627070
10',11',17'-tribromospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8,10,12,16,18-nonaene]
CID 130268416
N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-amine
CID 129130268
12,18-dibromospiro[10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]
CID 145010498
12,22-dibromo-15,15,19,19-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2,4,6,8,11,13,17,20(25),21,23,26-dodecaene
CID 142355697

Frequently Asked Questions

What is the IUPAC name of 5',9'-dibromospiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]?
The IUPAC name of 5',9'-dibromospiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran] (CID 122634674) is 5',9'-dibromospiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran].
What is the SMILES notation for 5',9'-dibromospiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]?
The canonical SMILES for 5',9'-dibromospiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran] is Brc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(Br)c3c(oc4ccccc43)c1-2.
What is the InChIKey of 5',9'-dibromospiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]?
The InChIKey is DDYHOFOLBMVEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H16Br2O/c32-17-13-14-20-24(15-17)31(22-10-4-1-7-18(22)19-8-2-5-11-23(19)31)25-16-26(33)29-21-9-3-6-12-27(21)34-30(29)28(20)25/h1-16H.
What are the key properties of 5',9'-dibromospiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]?
5',9'-dibromospiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran] has a molecular weight of 564.28 g/mol, XLogP of 9.45, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5',9'-dibromospiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran] is sourced from PubChem (CID 122634674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).