11,12,23,24,25,26,31,32-octafluoroheptacyclo[20.2.2.22,5.26,9.210,13.214,17.218,21]hexatriaconta-2(36),3,5(35),6(34),7,9(33),11,14,16,18,20,23,25,27,29,31-hexadecaene-1,10,13,22-tetrol

C36H20F8O4 — CID 138984929

IUPAC11,12,23,24,25,26,31,32-octafluoroheptacyclo[20.2.2.22,5.26,9.210,13.214,17.218,21]hexatriaconta-2(36),3,5(35),6(34),7,9(33),11,14,16,18,20,23,25,27,29,31-hexadecaene-1,10,13,22-tetrol
SMILESOC12C(F)=C(F)C(O)(C(F)=C1F)c1ccc(cc1)-c1ccc(cc1)C1(O)C(F)=C(F)C(O)(C(F)=C1F)c1ccc(cc1)-c1ccc2cc1
InChIInChI=1S/C36H20F8O4/c37-25-27(39)35(47)23-13-5-19(6-14-23)20-7-15-24(16-8-20)36(48)31(43)29(41)34(46,30(42)32(36)44)22-11-3-18(4-12-22)17-1-9-21(10-2-17)33(25,45)26(38)28(35)40/h1-16,45-48H
InChIKeyZCVGCMZDUXXXHV-UHFFFAOYSA-N
MW668.54 g/mol
LogP8.11
Rot. Bonds

About 11,12,23,24,25,26,31,32-octafluoroheptacyclo[20.2.2.22,5.26,9.210,13.214,17.218,21]hexatriaconta-2(36),3,5(35),6(34),7,9(33),11,14,16,18,20,23,25,27,29,31-hexadecaene-1,10,13,22-tetrol

11,12,23,24,25,26,31,32-octafluoroheptacyclo[20.2.2.22,5.26,9.210,13.214,17.218,21]hexatriaconta-2(36),3,5(35),6(34),7,9(33),11,14,16,18,20,23,25,27,29,31-hexadecaene-1,10,13,22-tetrol (PubChem CID 138984929) has the molecular formula C36H20F8O4 and a molecular weight of 668.54 g/mol. Its IUPAC name is 11,12,23,24,25,26,31,32-octafluoroheptacyclo[20.2.2.22,5.26,9.210,13.214,17.218,21]hexatriaconta-2(36),3,5(35),6(34),7,9(33),11,14,16,18,20,23,25,27,29,31-hexadecaene-1,10,13,22-tetrol.

Molecular Properties

Compound Name11,12,23,24,25,26,31,32-octafluoroheptacyclo[20.2.2.22,5.26,9.210,13.214,17.218,21]hexatriaconta-2(36),3,5(35),6(34),7,9(33),11,14,16,18,20,23,25,27,29,31-hexadecaene-1,10,13,22-tetrol
PubChem CID138984929
Molecular FormulaC36H20F8O4
Molecular Weight668.54 g/mol
Exact Mass668.12
IUPAC Name11,12,23,24,25,26,31,32-octafluoroheptacyclo[20.2.2.22,5.26,9.210,13.214,17.218,21]hexatriaconta-2(36),3,5(35),6(34),7,9(33),11,14,16,18,20,23,25,27,29,31-hexadecaene-1,10,13,22-tetrol
SMILESOC12C(F)=C(F)C(O)(C(F)=C1F)c1ccc(cc1)-c1ccc(cc1)C1(O)C(F)=C(F)C(O)(C(F)=C1F)c1ccc(cc1)-c1ccc2cc1
InChIInChI=1S/C36H20F8O4/c37-25-27(39)35(47)23-13-5-19(6-14-23)20-7-15-24(16-8-20)36(48)31(43)29(41)34(46,30(42)32(36)44)22-11-3-18(4-12-22)17-1-9-21(10-2-17)33(25,45)26(38)28(35)40/h1-16,45-48H
InChIKeyZCVGCMZDUXXXHV-UHFFFAOYSA-N
XLogP8.11
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.54
LogP ≤ 58.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 11,12,23,24,25,26,31,32-octafluoroheptacyclo[20.2.2.22,5.26,9.210,13.214,17.218,21]hexatriaconta-2(36),3,5(35),6(34),7,9(33),11,14,16,18,20,23,25,27,29,31-hexadecaene-1,10,13,22-tetrol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11,12,23,24,25,26,31,32-octafluoroheptacyclo[20.2.2.22,5.26,9.210,13.214,17.218,21]hexatriaconta-2(36),3,5(35),6(34),7,9(33),11,14,16,18,20,23,25,27,29,31-hexadecaene-1,10,13,22-tetrol?
The IUPAC name of 11,12,23,24,25,26,31,32-octafluoroheptacyclo[20.2.2.22,5.26,9.210,13.214,17.218,21]hexatriaconta-2(36),3,5(35),6(34),7,9(33),11,14,16,18,20,23,25,27,29,31-hexadecaene-1,10,13,22-tetrol (CID 138984929) is 11,12,23,24,25,26,31,32-octafluoroheptacyclo[20.2.2.22,5.26,9.210,13.214,17.218,21]hexatriaconta-2(36),3,5(35),6(34),7,9(33),11,14,16,18,20,23,25,27,29,31-hexadecaene-1,10,13,22-tetrol.
What is the SMILES notation for 11,12,23,24,25,26,31,32-octafluoroheptacyclo[20.2.2.22,5.26,9.210,13.214,17.218,21]hexatriaconta-2(36),3,5(35),6(34),7,9(33),11,14,16,18,20,23,25,27,29,31-hexadecaene-1,10,13,22-tetrol?
The canonical SMILES for 11,12,23,24,25,26,31,32-octafluoroheptacyclo[20.2.2.22,5.26,9.210,13.214,17.218,21]hexatriaconta-2(36),3,5(35),6(34),7,9(33),11,14,16,18,20,23,25,27,29,31-hexadecaene-1,10,13,22-tetrol is OC12C(F)=C(F)C(O)(C(F)=C1F)c1ccc(cc1)-c1ccc(cc1)C1(O)C(F)=C(F)C(O)(C(F)=C1F)c1ccc(cc1)-c1ccc2cc1.
What is the InChIKey of 11,12,23,24,25,26,31,32-octafluoroheptacyclo[20.2.2.22,5.26,9.210,13.214,17.218,21]hexatriaconta-2(36),3,5(35),6(34),7,9(33),11,14,16,18,20,23,25,27,29,31-hexadecaene-1,10,13,22-tetrol?
The InChIKey is ZCVGCMZDUXXXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H20F8O4/c37-25-27(39)35(47)23-13-5-19(6-14-23)20-7-15-24(16-8-20)36(48)31(43)29(41)34(46,30(42)32(36)44)22-11-3-18(4-12-22)17-1-9-21(10-2-17)33(25,45)26(38)28(35)40/h1-16,45-48H.
What are the key properties of 11,12,23,24,25,26,31,32-octafluoroheptacyclo[20.2.2.22,5.26,9.210,13.214,17.218,21]hexatriaconta-2(36),3,5(35),6(34),7,9(33),11,14,16,18,20,23,25,27,29,31-hexadecaene-1,10,13,22-tetrol?
11,12,23,24,25,26,31,32-octafluoroheptacyclo[20.2.2.22,5.26,9.210,13.214,17.218,21]hexatriaconta-2(36),3,5(35),6(34),7,9(33),11,14,16,18,20,23,25,27,29,31-hexadecaene-1,10,13,22-tetrol has a molecular weight of 668.54 g/mol, XLogP of 8.11, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11,12,23,24,25,26,31,32-octafluoroheptacyclo[20.2.2.22,5.26,9.210,13.214,17.218,21]hexatriaconta-2(36),3,5(35),6(34),7,9(33),11,14,16,18,20,23,25,27,29,31-hexadecaene-1,10,13,22-tetrol is sourced from PubChem (CID 138984929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).