33,42-bis[(E)-2-phenylethenyl]-9,19,28,38,46,48,58,60-octapropoxy-4,24-dioxaundecacyclo[25.11.7.78,20.13,37.16,10.112,16.118,22.125,29.131,35.140,44.152,56]hexaconta-1,3(47),6(59),7,9,12,14,16(58),18,20,22(50),25(49),26,28,31(48),32,34,37,40,42,44(46),52(60),53,55-tetracosaene

C98H108O10 — CID 101199201

IUPAC33,42-bis[(E)-2-phenylethenyl]-9,19,28,38,46,48,58,60-octapropoxy-4,24-dioxaundecacyclo[25.11.7.78,20.13,37.16,10.112,16.118,22.125,29.131,35.140,44.152,56]hexaconta-1,3(47),6(59),7,9,12,14,16(58),18,20,22(50),25(49),26,28,31(48),32,34,37,40,42,44(46),52(60),53,55-tetracosaene
SMILESCCCOc1c2cccc1Cc1cc3cc(c1OCCC)Cc1cccc(c1OCCC)Cc1cc(cc(c1OCCC)C2)COc1cc2c(OCCC)c(c1)Cc1cc(/C=C/c4ccccc4)cc(c1OCCC)Cc1cc(cc(c1OCCC)Cc1cc(/C=C/c4ccccc4)cc(c1OCCC)C2)OC3
InChIInChI=1S/C98H108O10/c1-9-37-99-91-73-29-23-30-74(91)54-82-50-72-52-84(96(82)104-42-14-6)56-76-32-24-31-75(92(76)100-38-10-2)55-83-51-71(49-81(53-73)95(83)103-41-13-5)65-107-89-61-85-57-77-45-69(35-33-67-25-19-17-20-26-67)46-78(93(77)101-39-11-3)58-86-62-90(108-66-72)64-88(98(86)106-44-16-8)60-80-48-70(36-34-68-27-21-18-22-28-68)47-79(94(80)102-40-12-4)59-87(63-89)97(85)105-43-15-7/h17-36,45-52,61-64H,9-16,37-44,53-60,65-66H2,1-8H3/b35-33+,36-34+
InChIKeyYUZLYVTVXVPZMC-LBYUQGKWSA-N
MW1445.93 g/mol
LogP23.16
Rot. Bonds28

About 33,42-bis[(E)-2-phenylethenyl]-9,19,28,38,46,48,58,60-octapropoxy-4,24-dioxaundecacyclo[25.11.7.78,20.13,37.16,10.112,16.118,22.125,29.131,35.140,44.152,56]hexaconta-1,3(47),6(59),7,9,12,14,16(58),18,20,22(50),25(49),26,28,31(48),32,34,37,40,42,44(46),52(60),53,55-tetracosaene

33,42-bis[(E)-2-phenylethenyl]-9,19,28,38,46,48,58,60-octapropoxy-4,24-dioxaundecacyclo[25.11.7.78,20.13,37.16,10.112,16.118,22.125,29.131,35.140,44.152,56]hexaconta-1,3(47),6(59),7,9,12,14,16(58),18,20,22(50),25(49),26,28,31(48),32,34,37,40,42,44(46),52(60),53,55-tetracosaene (PubChem CID 101199201) has the molecular formula C98H108O10 and a molecular weight of 1445.93 g/mol. Its IUPAC name is 33,42-bis[(E)-2-phenylethenyl]-9,19,28,38,46,48,58,60-octapropoxy-4,24-dioxaundecacyclo[25.11.7.78,20.13,37.16,10.112,16.118,22.125,29.131,35.140,44.152,56]hexaconta-1,3(47),6(59),7,9,12,14,16(58),18,20,22(50),25(49),26,28,31(48),32,34,37,40,42,44(46),52(60),53,55-tetracosaene.

Molecular Properties

Compound Name33,42-bis[(E)-2-phenylethenyl]-9,19,28,38,46,48,58,60-octapropoxy-4,24-dioxaundecacyclo[25.11.7.78,20.13,37.16,10.112,16.118,22.125,29.131,35.140,44.152,56]hexaconta-1,3(47),6(59),7,9,12,14,16(58),18,20,22(50),25(49),26,28,31(48),32,34,37,40,42,44(46),52(60),53,55-tetracosaene
PubChem CID101199201
Molecular FormulaC98H108O10
Molecular Weight1445.93 g/mol
Exact Mass1444.79
IUPAC Name33,42-bis[(E)-2-phenylethenyl]-9,19,28,38,46,48,58,60-octapropoxy-4,24-dioxaundecacyclo[25.11.7.78,20.13,37.16,10.112,16.118,22.125,29.131,35.140,44.152,56]hexaconta-1,3(47),6(59),7,9,12,14,16(58),18,20,22(50),25(49),26,28,31(48),32,34,37,40,42,44(46),52(60),53,55-tetracosaene
SMILESCCCOc1c2cccc1Cc1cc3cc(c1OCCC)Cc1cccc(c1OCCC)Cc1cc(cc(c1OCCC)C2)COc1cc2c(OCCC)c(c1)Cc1cc(/C=C/c4ccccc4)cc(c1OCCC)Cc1cc(cc(c1OCCC)Cc1cc(/C=C/c4ccccc4)cc(c1OCCC)C2)OC3
InChIInChI=1S/C98H108O10/c1-9-37-99-91-73-29-23-30-74(91)54-82-50-72-52-84(96(82)104-42-14-6)56-76-32-24-31-75(92(76)100-38-10-2)55-83-51-71(49-81(53-73)95(83)103-41-13-5)65-107-89-61-85-57-77-45-69(35-33-67-25-19-17-20-26-67)46-78(93(77)101-39-11-3)58-86-62-90(108-66-72)64-88(98(86)106-44-16-8)60-80-48-70(36-34-68-27-21-18-22-28-68)47-79(94(80)102-40-12-4)59-87(63-89)97(85)105-43-15-7/h17-36,45-52,61-64H,9-16,37-44,53-60,65-66H2,1-8H3/b35-33+,36-34+
InChIKeyYUZLYVTVXVPZMC-LBYUQGKWSA-N
XLogP23.16
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds28
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001445.93
LogP ≤ 523.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 33,42-bis[(E)-2-phenylethenyl]-9,19,28,38,46,48,58,60-octapropoxy-4,24-dioxaundecacyclo[25.11.7.78,20.13,37.16,10.112,16.118,22.125,29.131,35.140,44.152,56]hexaconta-1,3(47),6(59),7,9,12,14,16(58),18,20,22(50),25(49),26,28,31(48),32,34,37,40,42,44(46),52(60),53,55-tetracosaene with MolForge

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Related Compounds

5,11-bis[(E)-2-phenylethenyl]-25,26,27,28-tetrapropoxypentacyclo[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
CID 50923338
5-[(Z)-2-phenylethenyl]-25,26,27,28-tetrapropoxypentacyclo[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
CID 101411586
CID 136859571
CID 136859571
20a,21a,22a,24a,25a,26a,28a,29a,30a,32a,33a,34a-dodecapropoxy-30,33,36,89,92,95-hexaoxahenicosacyclo[95.21.1.16,28.110,14.116,20.122,26.138,60.140,44.146,50.152,56.165,87.169,73.175,79.181,85.199,103.1105,109.1111,115.08,29.037,58.067,88.096,117]tetratriacontahecta-a(99),1(18a),1a(2a),3,3a(22a),5a(6a),6(31a),7,7a(8a),9a(21a),10,11a(20a),12,12a(13a),14(34a),14a(15a),16,17a(96),18,19a(97),20(33a),22(32a),23,23a(87),24a(81),25,25a(75),26a(73),27a(60),28,28a(52),29a(46),30a(44),37,40,42,47,49,53,55,58,62,65,67(88),69,71,76,78,82,84-pentacontaene
CID 146034820
(25,26,27,28-tetrapropoxy-5-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-dodecaenyl)methanol
CID 101010259
5,11-dibromo-25,26-bis(phenylmethoxy)-27,28-dipropoxypentacyclo[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
CID 10963953
[17-[dimethyl(2-phenylethyl)silyl]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]-dimethyl-(2-phenylethyl)silane
CID 102174225
25,27-bis(2-anthracen-9-yloxyethoxy)-26,28-dipropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene
CID 102427600
25,26,27,28-tetraoctoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene-5,17-dicarbaldehyde
CID 10396043
bis(37,38-dipropoxy-19,22,25,28-tetraoxahexacyclo[15.12.7.17,11.131,35.05,29.013,18]octatriaconta-1(29),2,4,7(38),8,10,13,15,17,31(37),32,34-dodecaene);hexane
CID 139089839
ethyl 2-[[17-(2-ethoxy-2-oxoethoxy)-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxy]acetate
CID 15447633
2-[5,5-dimethyl-3-[(E)-2-(25,26,27,28-tetrapropoxy-5-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-dodecaenyl)ethenyl]cyclohex-2-en-1-ylidene]propanedinitrile
CID 10676748

Frequently Asked Questions

What is the IUPAC name of 33,42-bis[(E)-2-phenylethenyl]-9,19,28,38,46,48,58,60-octapropoxy-4,24-dioxaundecacyclo[25.11.7.78,20.13,37.16,10.112,16.118,22.125,29.131,35.140,44.152,56]hexaconta-1,3(47),6(59),7,9,12,14,16(58),18,20,22(50),25(49),26,28,31(48),32,34,37,40,42,44(46),52(60),53,55-tetracosaene?
The IUPAC name of 33,42-bis[(E)-2-phenylethenyl]-9,19,28,38,46,48,58,60-octapropoxy-4,24-dioxaundecacyclo[25.11.7.78,20.13,37.16,10.112,16.118,22.125,29.131,35.140,44.152,56]hexaconta-1,3(47),6(59),7,9,12,14,16(58),18,20,22(50),25(49),26,28,31(48),32,34,37,40,42,44(46),52(60),53,55-tetracosaene (CID 101199201) is 33,42-bis[(E)-2-phenylethenyl]-9,19,28,38,46,48,58,60-octapropoxy-4,24-dioxaundecacyclo[25.11.7.78,20.13,37.16,10.112,16.118,22.125,29.131,35.140,44.152,56]hexaconta-1,3(47),6(59),7,9,12,14,16(58),18,20,22(50),25(49),26,28,31(48),32,34,37,40,42,44(46),52(60),53,55-tetracosaene.
What is the SMILES notation for 33,42-bis[(E)-2-phenylethenyl]-9,19,28,38,46,48,58,60-octapropoxy-4,24-dioxaundecacyclo[25.11.7.78,20.13,37.16,10.112,16.118,22.125,29.131,35.140,44.152,56]hexaconta-1,3(47),6(59),7,9,12,14,16(58),18,20,22(50),25(49),26,28,31(48),32,34,37,40,42,44(46),52(60),53,55-tetracosaene?
The canonical SMILES for 33,42-bis[(E)-2-phenylethenyl]-9,19,28,38,46,48,58,60-octapropoxy-4,24-dioxaundecacyclo[25.11.7.78,20.13,37.16,10.112,16.118,22.125,29.131,35.140,44.152,56]hexaconta-1,3(47),6(59),7,9,12,14,16(58),18,20,22(50),25(49),26,28,31(48),32,34,37,40,42,44(46),52(60),53,55-tetracosaene is CCCOc1c2cccc1Cc1cc3cc(c1OCCC)Cc1cccc(c1OCCC)Cc1cc(cc(c1OCCC)C2)COc1cc2c(OCCC)c(c1)Cc1cc(/C=C/c4ccccc4)cc(c1OCCC)Cc1cc(cc(c1OCCC)Cc1cc(/C=C/c4ccccc4)cc(c1OCCC)C2)OC3.
What is the InChIKey of 33,42-bis[(E)-2-phenylethenyl]-9,19,28,38,46,48,58,60-octapropoxy-4,24-dioxaundecacyclo[25.11.7.78,20.13,37.16,10.112,16.118,22.125,29.131,35.140,44.152,56]hexaconta-1,3(47),6(59),7,9,12,14,16(58),18,20,22(50),25(49),26,28,31(48),32,34,37,40,42,44(46),52(60),53,55-tetracosaene?
The InChIKey is YUZLYVTVXVPZMC-LBYUQGKWSA-N. The full InChI is InChI=1S/C98H108O10/c1-9-37-99-91-73-29-23-30-74(91)54-82-50-72-52-84(96(82)104-42-14-6)56-76-32-24-31-75(92(76)100-38-10-2)55-83-51-71(49-81(53-73)95(83)103-41-13-5)65-107-89-61-85-57-77-45-69(35-33-67-25-19-17-20-26-67)46-78(93(77)101-39-11-3)58-86-62-90(108-66-72)64-88(98(86)106-44-16-8)60-80-48-70(36-34-68-27-21-18-22-28-68)47-79(94(80)102-40-12-4)59-87(63-89)97(85)105-43-15-7/h17-36,45-52,61-64H,9-16,37-44,53-60,65-66H2,1-8H3/b35-33+,36-34+.
What are the key properties of 33,42-bis[(E)-2-phenylethenyl]-9,19,28,38,46,48,58,60-octapropoxy-4,24-dioxaundecacyclo[25.11.7.78,20.13,37.16,10.112,16.118,22.125,29.131,35.140,44.152,56]hexaconta-1,3(47),6(59),7,9,12,14,16(58),18,20,22(50),25(49),26,28,31(48),32,34,37,40,42,44(46),52(60),53,55-tetracosaene?
33,42-bis[(E)-2-phenylethenyl]-9,19,28,38,46,48,58,60-octapropoxy-4,24-dioxaundecacyclo[25.11.7.78,20.13,37.16,10.112,16.118,22.125,29.131,35.140,44.152,56]hexaconta-1,3(47),6(59),7,9,12,14,16(58),18,20,22(50),25(49),26,28,31(48),32,34,37,40,42,44(46),52(60),53,55-tetracosaene has a molecular weight of 1445.93 g/mol, XLogP of 23.16, 28 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 33,42-bis[(E)-2-phenylethenyl]-9,19,28,38,46,48,58,60-octapropoxy-4,24-dioxaundecacyclo[25.11.7.78,20.13,37.16,10.112,16.118,22.125,29.131,35.140,44.152,56]hexaconta-1,3(47),6(59),7,9,12,14,16(58),18,20,22(50),25(49),26,28,31(48),32,34,37,40,42,44(46),52(60),53,55-tetracosaene is sourced from PubChem (CID 101199201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).