4-(4-bromo-9-dibenzofuran-4-ylfluoren-9-yl)dibenzofuran

C37H21BrO2 — CID 142453719

IUPAC4-(4-bromo-9-dibenzofuran-4-ylfluoren-9-yl)dibenzofuran
SMILESBrc1cccc2c1-c1ccccc1C2(c1cccc2c1oc1ccccc12)c1cccc2c1oc1ccccc12
InChIInChI=1S/C37H21BrO2/c38-31-19-9-16-28-34(31)26-12-1-4-15-27(26)37(28,29-17-7-13-24-22-10-2-5-20-32(22)39-35(24)29)30-18-8-14-25-23-11-3-6-21-33(23)40-36(25)30/h1-21H
InChIKeyITSHHHZAJFZCJK-UHFFFAOYSA-N
MW577.48 g/mol
LogP10.61
Rot. Bonds2

About 4-(4-bromo-9-dibenzofuran-4-ylfluoren-9-yl)dibenzofuran

4-(4-bromo-9-dibenzofuran-4-ylfluoren-9-yl)dibenzofuran (PubChem CID 142453719) has the molecular formula C37H21BrO2 and a molecular weight of 577.48 g/mol. Its IUPAC name is 4-(4-bromo-9-dibenzofuran-4-ylfluoren-9-yl)dibenzofuran.

Molecular Properties

Compound Name4-(4-bromo-9-dibenzofuran-4-ylfluoren-9-yl)dibenzofuran
PubChem CID142453719
Molecular FormulaC37H21BrO2
Molecular Weight577.48 g/mol
Exact Mass576.07
IUPAC Name4-(4-bromo-9-dibenzofuran-4-ylfluoren-9-yl)dibenzofuran
SMILESBrc1cccc2c1-c1ccccc1C2(c1cccc2c1oc1ccccc12)c1cccc2c1oc1ccccc12
InChIInChI=1S/C37H21BrO2/c38-31-19-9-16-28-34(31)26-12-1-4-15-27(26)37(28,29-17-7-13-24-22-10-2-5-20-32(22)39-35(24)29)30-18-8-14-25-23-11-3-6-21-33(23)40-36(25)30/h1-21H
InChIKeyITSHHHZAJFZCJK-UHFFFAOYSA-N
XLogP10.61
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.48
LogP ≤ 510.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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
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-bromo-6-dibenzofuran-4-yldibenzofuran
CID 147905511
4'-bromo-4-chloro-9,9'-spirobi[fluorene]
CID 139434314
4-bromo-4'-methyl-9,9'-spirobi[fluorene]
CID 123165749
N-(9,9'-spirobi[fluorene]-4-yl)-N-tetraphenylen-1-ylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-amine
CID 134524868
N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine
CID 121381379
1-bromo-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran
CID 129100189
4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine
CID 146661262
4-[3-bromo-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-9-yl]dibenzofuran
CID 156687579
5',9'-dibromospiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]
CID 122634674
4-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran
CID 164758516

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-9-dibenzofuran-4-ylfluoren-9-yl)dibenzofuran?
The IUPAC name of 4-(4-bromo-9-dibenzofuran-4-ylfluoren-9-yl)dibenzofuran (CID 142453719) is 4-(4-bromo-9-dibenzofuran-4-ylfluoren-9-yl)dibenzofuran.
What is the SMILES notation for 4-(4-bromo-9-dibenzofuran-4-ylfluoren-9-yl)dibenzofuran?
The canonical SMILES for 4-(4-bromo-9-dibenzofuran-4-ylfluoren-9-yl)dibenzofuran is Brc1cccc2c1-c1ccccc1C2(c1cccc2c1oc1ccccc12)c1cccc2c1oc1ccccc12.
What is the InChIKey of 4-(4-bromo-9-dibenzofuran-4-ylfluoren-9-yl)dibenzofuran?
The InChIKey is ITSHHHZAJFZCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21BrO2/c38-31-19-9-16-28-34(31)26-12-1-4-15-27(26)37(28,29-17-7-13-24-22-10-2-5-20-32(22)39-35(24)29)30-18-8-14-25-23-11-3-6-21-33(23)40-36(25)30/h1-21H.
What are the key properties of 4-(4-bromo-9-dibenzofuran-4-ylfluoren-9-yl)dibenzofuran?
4-(4-bromo-9-dibenzofuran-4-ylfluoren-9-yl)dibenzofuran has a molecular weight of 577.48 g/mol, XLogP of 10.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-9-dibenzofuran-4-ylfluoren-9-yl)dibenzofuran is sourced from PubChem (CID 142453719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).