5,11,17,23-tetrakis(phenoxymethyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol

C56H48O8 — CID 10463259

IUPAC5,11,17,23-tetrakis(phenoxymethyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol
SMILESOc1c2cc(COc3ccccc3)cc1Cc1cc(COc3ccccc3)cc(c1O)Cc1cc(COc3ccccc3)cc(c1O)Cc1cc(COc3ccccc3)cc(c1O)C2
InChIInChI=1S/C56H48O8/c57-53-41-21-37(33-61-49-13-5-1-6-14-49)22-42(53)30-44-24-39(35-63-51-17-9-3-10-18-51)26-46(55(44)59)32-48-28-40(36-64-52-19-11-4-12-20-52)27-47(56(48)60)31-45-25-38(23-43(29-41)54(45)58)34-62-50-15-7-2-8-16-50/h1-28,57-60H,29-36H2
InChIKeyZDWUYJFDONUYLG-UHFFFAOYSA-N
MW848.99 g/mol
LogP11.50
Rot. Bonds12

About 5,11,17,23-tetrakis(phenoxymethyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol

5,11,17,23-tetrakis(phenoxymethyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol (PubChem CID 10463259) has the molecular formula C56H48O8 and a molecular weight of 848.99 g/mol. Its IUPAC name is 5,11,17,23-tetrakis(phenoxymethyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol.

Molecular Properties

Compound Name5,11,17,23-tetrakis(phenoxymethyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol
PubChem CID10463259
Molecular FormulaC56H48O8
Molecular Weight848.99 g/mol
Exact Mass848.33
IUPAC Name5,11,17,23-tetrakis(phenoxymethyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol
SMILESOc1c2cc(COc3ccccc3)cc1Cc1cc(COc3ccccc3)cc(c1O)Cc1cc(COc3ccccc3)cc(c1O)Cc1cc(COc3ccccc3)cc(c1O)C2
InChIInChI=1S/C56H48O8/c57-53-41-21-37(33-61-49-13-5-1-6-14-49)22-42(53)30-44-24-39(35-63-51-17-9-3-10-18-51)26-46(55(44)59)32-48-28-40(36-64-52-19-11-4-12-20-52)27-47(56(48)60)31-45-25-38(23-43(29-41)54(45)58)34-62-50-15-7-2-8-16-50/h1-28,57-60H,29-36H2
InChIKeyZDWUYJFDONUYLG-UHFFFAOYSA-N
XLogP11.50
TPSA117.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.99
LogP ≤ 511.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 5,11,17,23-tetrakis(phenoxymethyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol with MolForge

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Related Compounds

cesium 5,11,17,23,29,35,41-heptakis(phenylmethoxy)octacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene-43,44,45,46,47,48,49-heptol
CID 71610242
5,11,17,23-tetratert-butyl-27,28-bis(phenylmethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,26-diol
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CID 20649368
5,13,19,27-tetratert-butyl-30,32-bis(phenylmethoxy)pentacyclo[23.3.1.13,7.111,15.117,21]dotriaconta-1(28),3,5,7(32),11(31),12,14,17,19,21(30),25(29),26-dodecaene-29,31-diol
CID 10771984
5,13,19,27-tetratert-butyl-31,32-bis(phenylmethoxy)pentacyclo[23.3.1.13,7.111,15.117,21]dotriaconta-1(28),3,5,7(32),11(31),12,14,17,19,21(30),25(29),26-dodecaene-29,30-diol
CID 10605702
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CID 100981956
11,23-diamino-5,17-ditert-butyl-26,28-bis(phenylmethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diol
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Frequently Asked Questions

What is the IUPAC name of 5,11,17,23-tetrakis(phenoxymethyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol?
The IUPAC name of 5,11,17,23-tetrakis(phenoxymethyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol (CID 10463259) is 5,11,17,23-tetrakis(phenoxymethyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol.
What is the SMILES notation for 5,11,17,23-tetrakis(phenoxymethyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol?
The canonical SMILES for 5,11,17,23-tetrakis(phenoxymethyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol is Oc1c2cc(COc3ccccc3)cc1Cc1cc(COc3ccccc3)cc(c1O)Cc1cc(COc3ccccc3)cc(c1O)Cc1cc(COc3ccccc3)cc(c1O)C2.
What is the InChIKey of 5,11,17,23-tetrakis(phenoxymethyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol?
The InChIKey is ZDWUYJFDONUYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H48O8/c57-53-41-21-37(33-61-49-13-5-1-6-14-49)22-42(53)30-44-24-39(35-63-51-17-9-3-10-18-51)26-46(55(44)59)32-48-28-40(36-64-52-19-11-4-12-20-52)27-47(56(48)60)31-45-25-38(23-43(29-41)54(45)58)34-62-50-15-7-2-8-16-50/h1-28,57-60H,29-36H2.
What are the key properties of 5,11,17,23-tetrakis(phenoxymethyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol?
5,11,17,23-tetrakis(phenoxymethyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol has a molecular weight of 848.99 g/mol, XLogP of 11.50, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11,17,23-tetrakis(phenoxymethyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol is sourced from PubChem (CID 10463259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).