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]

C37H20Br2O2 — CID 134571716

IUPAC11',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]
SMILESBrc1ccc2c(c1)C1(c3ccccc3Oc3c1ccc1c3oc3ccccc31)c1cc(Br)ccc1-c1ccccc1-2
InChIInChI=1S/C37H20Br2O2/c38-21-13-15-25-23-7-1-2-8-24(23)26-16-14-22(39)20-32(26)37(31(25)19-21)29-10-4-6-12-34(29)41-36-30(37)18-17-28-27-9-3-5-11-33(27)40-35(28)36/h1-20H
InChIKeyRTCUJRZNLLPAOZ-UHFFFAOYSA-N
MW656.37 g/mol
LogP11.25
Rot. Bonds

About 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]

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] (PubChem CID 134571716) has the molecular formula C37H20Br2O2 and a molecular weight of 656.37 g/mol. Its IUPAC name is 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].

Molecular Properties

Compound Name11',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]
PubChem CID134571716
Molecular FormulaC37H20Br2O2
Molecular Weight656.37 g/mol
Exact Mass653.98
IUPAC Name11',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]
SMILESBrc1ccc2c(c1)C1(c3ccccc3Oc3c1ccc1c3oc3ccccc31)c1cc(Br)ccc1-c1ccccc1-2
InChIInChI=1S/C37H20Br2O2/c38-21-13-15-25-23-7-1-2-8-24(23)26-16-14-22(39)20-32(26)37(31(25)19-21)29-10-4-6-12-34(29)41-36-30(37)18-17-28-27-9-3-5-11-33(27)40-35(28)36/h1-20H
InChIKeyRTCUJRZNLLPAOZ-UHFFFAOYSA-N
XLogP11.25
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.37
LogP ≤ 511.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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] with MolForge

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Related Compounds

N-dibenzofuran-4-ylspiro[fluorene-9,9'-xanthene]-4'-amine
CID 169305044
3'-[2-(2-dibenzofuran-4-ylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 177297795
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
4-dibenzofuran-4-yl-6-(2,4-diphenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
CID 167348949
N-naphtho[1,2-b][1]benzofuran-1-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-4'-amine
CID 167277352
N-(4-dibenzofuran-4-ylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475955
2-bromo-2'-phenylspiro[fluorene-9,9'-xanthene]
CID 170180907
5',9'-dibromospiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]
CID 122634674
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
2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
N-dibenzofuran-2-yl-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476872
N-(4-dibenzofuran-4-ylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 138476214

Frequently Asked Questions

What is the IUPAC name of 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]?
The IUPAC name of 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) is 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].
What is the SMILES notation for 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]?
The canonical SMILES for 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] is Brc1ccc2c(c1)C1(c3ccccc3Oc3c1ccc1c3oc3ccccc31)c1cc(Br)ccc1-c1ccccc1-2.
What is the InChIKey of 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]?
The InChIKey is RTCUJRZNLLPAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H20Br2O2/c38-21-13-15-25-23-7-1-2-8-24(23)26-16-14-22(39)20-32(26)37(31(25)19-21)29-10-4-6-12-34(29)41-36-30(37)18-17-28-27-9-3-5-11-33(27)40-35(28)36/h1-20H.
What are the key properties of 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]?
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] has a molecular weight of 656.37 g/mol, XLogP of 11.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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] is sourced from PubChem (CID 134571716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).