1-bromo-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran

C37H21BrO — CID 129100189

IUPAC1-bromo-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran
SMILESBrc1cccc2oc3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3c12
InChIInChI=1S/C37H21BrO/c38-32-17-8-18-34-36(32)27-21-22(19-20-33(27)39-34)23-12-7-16-31-35(23)26-11-3-6-15-30(26)37(31)28-13-4-1-9-24(28)25-10-2-5-14-29(25)37/h1-21H
InChIKeyBIVCZICJWJZQPU-UHFFFAOYSA-N
MW561.48 g/mol
LogP10.36
Rot. Bonds1

About 1-bromo-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran

1-bromo-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran (PubChem CID 129100189) has the molecular formula C37H21BrO and a molecular weight of 561.48 g/mol. Its IUPAC name is 1-bromo-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran.

Molecular Properties

Compound Name1-bromo-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran
PubChem CID129100189
Molecular FormulaC37H21BrO
Molecular Weight561.48 g/mol
Exact Mass560.08
IUPAC Name1-bromo-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran
SMILESBrc1cccc2oc3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3c12
InChIInChI=1S/C37H21BrO/c38-32-17-8-18-34-36(32)27-21-22(19-20-33(27)39-34)23-12-7-16-31-35(23)26-11-3-6-15-30(26)37(31)28-13-4-1-9-24(28)25-10-2-5-14-29(25)37/h1-21H
InChIKeyBIVCZICJWJZQPU-UHFFFAOYSA-N
XLogP10.36
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.48
LogP ≤ 510.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-prop-1-en-2-yl-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran
CID 156734864
2,4-diphenyl-6-[8-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 156734786
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166003003
2,4-diphenyl-6-[8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine;hydroiodide
CID 156734683
2-dibenzofuran-2-yl-4-dibenzothiophen-1-yl-6-[8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 156734870
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 146648601
N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-3-amine
CID 168771578
1-bromo-8-[3-(3-phenylphenyl)phenyl]dibenzofuran
CID 138618454
2,4-di(dibenzofuran-1-yl)-6-[8-[3-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002837
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)carbazole
CID 129291968
2,4-di(dibenzofuran-3-yl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 146649073
2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 153368965

Frequently Asked Questions

What is the IUPAC name of 1-bromo-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran?
The IUPAC name of 1-bromo-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran (CID 129100189) is 1-bromo-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran.
What is the SMILES notation for 1-bromo-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran?
The canonical SMILES for 1-bromo-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran is Brc1cccc2oc3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3c12.
What is the InChIKey of 1-bromo-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran?
The InChIKey is BIVCZICJWJZQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21BrO/c38-32-17-8-18-34-36(32)27-21-22(19-20-33(27)39-34)23-12-7-16-31-35(23)26-11-3-6-15-30(26)37(31)28-13-4-1-9-24(28)25-10-2-5-14-29(25)37/h1-21H.
What are the key properties of 1-bromo-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran?
1-bromo-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran has a molecular weight of 561.48 g/mol, XLogP of 10.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran is sourced from PubChem (CID 129100189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).