(10Z,12Z)-4'-bromo-9-methylidenespiro[tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,10,12,15,17-octaene-2,9'-xanthene]

C32H23BrO — CID 121391893

IUPAC(10Z,12Z)-4'-bromo-9-methylidenespiro[tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,10,12,15,17-octaene-2,9'-xanthene]
SMILESC=C1/C=C\C=C/Cc2ccccc2C2(c3ccccc3Oc3c(Br)cccc32)c2ccccc21
InChIInChI=1S/C32H23BrO/c1-22-12-3-2-4-13-23-14-5-7-16-25(23)32(26-17-8-6-15-24(22)26)27-18-9-10-21-30(27)34-31-28(32)19-11-20-29(31)33/h2-12,14-21H,1,13H2/b4-2-,12-3-
InChIKeyDRUAEDDTIODTGN-KARYMFPASA-N
MW503.44 g/mol
LogP8.62
Rot. Bonds

About (10Z,12Z)-4'-bromo-9-methylidenespiro[tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,10,12,15,17-octaene-2,9'-xanthene]

(10Z,12Z)-4'-bromo-9-methylidenespiro[tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,10,12,15,17-octaene-2,9'-xanthene] (PubChem CID 121391893) has the molecular formula C32H23BrO and a molecular weight of 503.44 g/mol. Its IUPAC name is (10Z,12Z)-4'-bromo-9-methylidenespiro[tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,10,12,15,17-octaene-2,9'-xanthene].

Molecular Properties

Compound Name(10Z,12Z)-4'-bromo-9-methylidenespiro[tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,10,12,15,17-octaene-2,9'-xanthene]
PubChem CID121391893
Molecular FormulaC32H23BrO
Molecular Weight503.44 g/mol
Exact Mass502.09
IUPAC Name(10Z,12Z)-4'-bromo-9-methylidenespiro[tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,10,12,15,17-octaene-2,9'-xanthene]
SMILESC=C1/C=C\C=C/Cc2ccccc2C2(c3ccccc3Oc3c(Br)cccc32)c2ccccc21
InChIInChI=1S/C32H23BrO/c1-22-12-3-2-4-13-23-14-5-7-16-25(23)32(26-17-8-6-15-24(22)26)27-18-9-10-21-30(27)34-31-28(32)19-11-20-29(31)33/h2-12,14-21H,1,13H2/b4-2-,12-3-
InChIKeyDRUAEDDTIODTGN-KARYMFPASA-N
XLogP8.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.44
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (10Z,12Z)-4'-bromo-9-methylidenespiro[tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,10,12,15,17-octaene-2,9'-xanthene] with MolForge

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Related Compounds

4-bromospiro[8H-cyclohepta[b]chromene-11,9'-fluorene]
CID 134504794
1'-bromospiro[9H-anthracene-10,9'-fluorene]
CID 142509759
10'-bromo-10,10-dimethylspiro[14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene];4',11-dibromo-17-methylspiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene-14,9'-xanthene];4',10-dibromospiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene];4',11-dibromospiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene]
CID 159532918
16-bromo-10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
CID 138574315
1-bromo-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 142567703
9-[(10'Z,12'Z)-9'-methylidenespiro[fluorene-9,2'-tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,10,12,15,17-octaene]-2-yl]-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-3-amine
CID 121391731
boric acid;spiro[fluorene-9,9'-xanthene]
CID 175979012
5'-bromo-2'-chlorospiro[2,3-dihydrofluorene-9,9'-xanthene]
CID 155157623
N-[4-(4-bromophenyl)phenyl]-N-phenylspiro[fluorene-9,9'-xanthene]-4'-amine
CID 155239548
N-dibenzofuran-4-ylspiro[fluorene-9,9'-xanthene]-4'-amine
CID 169305044
ethane;spiro[9H-anthracene-10,9'-fluorene]
CID 90717340
2'-[(11Z,13Z)-15-methylidene-4-tricyclo[7.6.1.05,16]hexadeca-1,3,5,7,9(16),11,13-heptaenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
CID 118049700

Frequently Asked Questions

What is the IUPAC name of (10Z,12Z)-4'-bromo-9-methylidenespiro[tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,10,12,15,17-octaene-2,9'-xanthene]?
The IUPAC name of (10Z,12Z)-4'-bromo-9-methylidenespiro[tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,10,12,15,17-octaene-2,9'-xanthene] (CID 121391893) is (10Z,12Z)-4'-bromo-9-methylidenespiro[tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,10,12,15,17-octaene-2,9'-xanthene].
What is the SMILES notation for (10Z,12Z)-4'-bromo-9-methylidenespiro[tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,10,12,15,17-octaene-2,9'-xanthene]?
The canonical SMILES for (10Z,12Z)-4'-bromo-9-methylidenespiro[tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,10,12,15,17-octaene-2,9'-xanthene] is C=C1/C=C\C=C/Cc2ccccc2C2(c3ccccc3Oc3c(Br)cccc32)c2ccccc21.
What is the InChIKey of (10Z,12Z)-4'-bromo-9-methylidenespiro[tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,10,12,15,17-octaene-2,9'-xanthene]?
The InChIKey is DRUAEDDTIODTGN-KARYMFPASA-N. The full InChI is InChI=1S/C32H23BrO/c1-22-12-3-2-4-13-23-14-5-7-16-25(23)32(26-17-8-6-15-24(22)26)27-18-9-10-21-30(27)34-31-28(32)19-11-20-29(31)33/h2-12,14-21H,1,13H2/b4-2-,12-3-.
What are the key properties of (10Z,12Z)-4'-bromo-9-methylidenespiro[tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,10,12,15,17-octaene-2,9'-xanthene]?
(10Z,12Z)-4'-bromo-9-methylidenespiro[tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,10,12,15,17-octaene-2,9'-xanthene] has a molecular weight of 503.44 g/mol, XLogP of 8.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10Z,12Z)-4'-bromo-9-methylidenespiro[tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,10,12,15,17-octaene-2,9'-xanthene] is sourced from PubChem (CID 121391893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).