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

C37H23BrO2 — CID 130463554

IUPAC11-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
SMILESOC1(c2ccccc2-c2ccc3c(c2)oc2ccccc23)c2ccccc2-c2ccccc2-c2ccc(Br)cc21
InChIInChI=1S/C37H23BrO2/c38-24-18-20-29-27-11-2-1-10-26(27)28-12-4-7-15-33(28)37(39,34(29)22-24)32-14-6-3-9-25(32)23-17-19-31-30-13-5-8-16-35(30)40-36(31)21-23/h1-22,39H
InChIKeyADHRWMQSKUOZNK-UHFFFAOYSA-N
MW579.49 g/mol
LogP9.95
Rot. Bonds2

About 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

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 (PubChem CID 130463554) has the molecular formula C37H23BrO2 and a molecular weight of 579.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name11-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
PubChem CID130463554
Molecular FormulaC37H23BrO2
Molecular Weight579.49 g/mol
Exact Mass578.09
IUPAC Name11-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
SMILESOC1(c2ccccc2-c2ccc3c(c2)oc2ccccc23)c2ccccc2-c2ccccc2-c2ccc(Br)cc21
InChIInChI=1S/C37H23BrO2/c38-24-18-20-29-27-11-2-1-10-26(27)28-12-4-7-15-33(28)37(39,34(29)22-24)32-14-6-3-9-25(32)23-17-19-31-30-13-5-8-16-35(30)40-36(31)21-23/h1-22,39H
InChIKeyADHRWMQSKUOZNK-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-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 with MolForge

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Related Compounds

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
9-(5-chloro-2-dibenzofuran-3-ylphenyl)-10,10-dimethylanthracen-9-ol
CID 142752896
9-[2-(1-benzofuran-2-yl)phenyl]-2-bromofluoren-9-ol
CID 134529564
9-bromo-7,7-dimethylfluoreno[2,3-b][1]benzofuran
CID 130288485
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
7,19-di(dibenzofuran-4-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
CID 149458315
5,9-dibromo-7-(2-phenylphenyl)benzo[c]fluoren-7-ol
CID 159840837
3'-dibenzofuran-3-ylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]
CID 153483755
3-(10-tetraphenylen-2-ylanthracen-9-yl)dibenzofuran
CID 138553319
3-[2-(10-bromoanthracen-9-yl)phenyl]dibenzofuran
CID 176862825
20-bromo-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;3-bromo-7-(2-phenylphenyl)dibenzofuran
CID 160654162
2-bromo-9-[8-(4-phenylphenyl)naphthalen-1-yl]fluoren-9-ol
CID 164732104

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is OC1(c2ccccc2-c2ccc3c(c2)oc2ccccc23)c2ccccc2-c2ccccc2-c2ccc(Br)cc21.
What is the InChIKey of 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?
The InChIKey is ADHRWMQSKUOZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23BrO2/c38-24-18-20-29-27-11-2-1-10-26(27)28-12-4-7-15-33(28)37(39,34(29)22-24)32-14-6-3-9-25(32)23-17-19-31-30-13-5-8-16-35(30)40-36(31)21-23/h1-22,39H.
What are the key properties of 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?
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 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-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 is sourced from PubChem (CID 130463554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).