11-bromo-14-(2-dibenzofuran-4-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol

C37H23BrO2 — CID 130463559

IUPAC11-bromo-14-(2-dibenzofuran-4-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol
SMILESOC1(c2ccccc2-c2cccc3c2oc2ccccc23)c2ccccc2-c2ccccc2-c2ccc(Br)cc21
InChIInChI=1S/C37H23BrO2/c38-23-20-21-28-25-11-2-1-10-24(25)26-12-3-6-17-32(26)37(39,34(28)22-23)33-18-7-4-13-27(33)30-15-9-16-31-29-14-5-8-19-35(29)40-36(30)31/h1-22,39H
InChIKeyNXBHHGLZTJQLPO-UHFFFAOYSA-N
MW579.49 g/mol
LogP9.95
Rot. Bonds2

About 11-bromo-14-(2-dibenzofuran-4-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol

11-bromo-14-(2-dibenzofuran-4-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol (PubChem CID 130463559) has the molecular formula C37H23BrO2 and a molecular weight of 579.49 g/mol. Its IUPAC name is 11-bromo-14-(2-dibenzofuran-4-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol.

Molecular Properties

Compound Name11-bromo-14-(2-dibenzofuran-4-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol
PubChem CID130463559
Molecular FormulaC37H23BrO2
Molecular Weight579.49 g/mol
Exact Mass578.09
IUPAC Name11-bromo-14-(2-dibenzofuran-4-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol
SMILESOC1(c2ccccc2-c2cccc3c2oc2ccccc23)c2ccccc2-c2ccccc2-c2ccc(Br)cc21
InChIInChI=1S/C37H23BrO2/c38-23-20-21-28-25-11-2-1-10-24(25)26-12-3-6-17-32(26)37(39,34(28)22-23)33-18-7-4-13-27(33)30-15-9-16-31-29-14-5-8-19-35(29)40-36(30)31/h1-22,39H
InChIKeyNXBHHGLZTJQLPO-UHFFFAOYSA-N
XLogP9.95
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.49
LogP ≤ 59.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 11-bromo-14-(2-dibenzofuran-4-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol with MolForge

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Related Compounds

11-bromo-14-(2-dibenzofuran-3-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol
CID 130463554
11-bromo-14-(2-phenanthren-9-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol
CID 130463599
9-[2-(1-benzofuran-2-yl)phenyl]-2-bromofluoren-9-ol
CID 134529564
5-bromo-2-dibenzofuran-4-ylbenzoic acid
CID 122634670
11',17'-dibromospiro[[1]benzofuro[3,2-c]xanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]
CID 134571716
10-bromo-14-(2-naphthalen-1-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol
CID 130463591
4-(4-bromophenyl)dibenzofuran
CID 59022098
4-bromo-6-dibenzofuran-4-yldibenzofuran
CID 147905511
5',9'-dibromospiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]
CID 122634674
4-(3-bromo-5-dibenzofuran-4-ylphenyl)dibenzofuran;methane
CID 142380453
1-[5-bromo-2-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]ethanone
CID 142604922
3,6-dibromo-9-(2-dibenzofuran-4-ylphenyl)carbazole
CID 169284938

Frequently Asked Questions

What is the IUPAC name of 11-bromo-14-(2-dibenzofuran-4-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol?
The IUPAC name of 11-bromo-14-(2-dibenzofuran-4-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol (CID 130463559) is 11-bromo-14-(2-dibenzofuran-4-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol.
What is the SMILES notation for 11-bromo-14-(2-dibenzofuran-4-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol?
The canonical SMILES for 11-bromo-14-(2-dibenzofuran-4-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol is OC1(c2ccccc2-c2cccc3c2oc2ccccc23)c2ccccc2-c2ccccc2-c2ccc(Br)cc21.
What is the InChIKey of 11-bromo-14-(2-dibenzofuran-4-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol?
The InChIKey is NXBHHGLZTJQLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23BrO2/c38-23-20-21-28-25-11-2-1-10-24(25)26-12-3-6-17-32(26)37(39,34(28)22-23)33-18-7-4-13-27(33)30-15-9-16-31-29-14-5-8-19-35(29)40-36(30)31/h1-22,39H.
What are the key properties of 11-bromo-14-(2-dibenzofuran-4-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol?
11-bromo-14-(2-dibenzofuran-4-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol has a molecular weight of 579.49 g/mol, XLogP of 9.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-bromo-14-(2-dibenzofuran-4-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol is sourced from PubChem (CID 130463559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).