benzo[10]annulene;20-[10-[(E,4E)-4-cyclohexa-2,4-dien-1-ylidenebut-2-en-2-yl]anthracen-9-yl]-16,16-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene;18-[9,10-di(ethylidene)-8-(6-phenylnaphthalen-2-yl)cyclodeca-1,3,5,7-tetraen-1-yl]-22,22-dimethyl-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16(21),17,19,23-undecaene;(6E)-4,4-dimethyl-5-methylidene-6-[2-[12-[3-(6-methylidene-4-phenylcyclohexa-2,4-dien-1-yl)prop-1-en-2-yl]benzo[10]annulen-5-yl]prop-2-enylidene]-20-oxapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene;(5E)-7,7-dimethyl-6-methylidene-5-prop-2-enylidene-20-oxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene;ethane;6-methylidene-2-phenyl-5-prop-2-enylcyclohexa-1,3-diene;bis(prop-1-ene)

C222H188O4 — CID 159000831

IUPACbenzo[10]annulene;20-[10-[(E,4E)-4-cyclohexa-2,4-dien-1-ylidenebut-2-en-2-yl]anthracen-9-yl]-16,16-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene;18-[9,10-di(ethylidene)-8-(6-phenylnaphthalen-2-yl)cyclodeca-1,3,5,7-tetraen-1-yl]-22,22-dimethyl-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16(21),17,19,23-undecaene;(6E)-4,4-dimethyl-5-methylidene-6-[2-[12-[3-(6-methylidene-4-phenylcyclohexa-2,4-dien-1-yl)prop-1-en-2-yl]benzo[10]annulen-5-yl]prop-2-enylidene]-20-oxapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene;(5E)-7,7-dimethyl-6-methylidene-5-prop-2-enylidene-20-oxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene;ethane;6-methylidene-2-phenyl-5-prop-2-enylcyclohexa-1,3-diene;bis(prop-1-ene)
SMILESC/C(=C\C=C1\C=CC=CC1)c1c2ccccc2c(-c2ccc3c(c2)-c2cc4c(ccc5oc6ccccc6c54)cc2C3(C)C)c2ccccc12.C=C(/C=C1\C(=C)C(C)(C)c2c1ccc1ccc3c4ccccc4oc3c21)c1ccccccc(C(=C)CC2C=CC(c3ccccc3)=CC2=C)c2ccccc12.C=C/C=C1\C(=C)C(C)(C)c2cc3ccc4c5ccccc5oc4c3cc21.C=CC.C=CC.C=CCC1C=CC(c2ccccc2)=CC1=C.CC.CC=c1c(-c2ccc3c(c2)-c2cc4cc5oc6ccccc6c5cc4cc2C3(C)C)ccccccc(-c2ccc3cc(-c4ccccc4)ccc3c2)c1=CC.c1ccccc2ccccc2ccc1
InChIInChI=1S/C55H42O.C55H44O.C49H36O.C25H20O.C16H16.C14H12.2C3H6.C2H6/c1-5-43-44(6-2)46(19-13-8-7-12-18-45(43)39-25-24-37-28-36(22-23-38(37)29-39)35-16-10-9-11-17-35)40-26-27-51-48(30-40)49-31-42-34-54-50(47-20-14-15-21-53(47)56-54)32-41(42)33-52(49)55(51,3)4;1-35-32-42(39-18-10-9-11-19-39)27-26-41(35)33-36(2)43-20-12-7-8-13-21-44(46-23-15-14-22-45(43)46)37(3)34-50-38(4)55(5,6)53-48(50)30-28-40-29-31-49-47-24-16-17-25-51(47)56-54(49)52(40)53;1-30(21-22-31-13-5-4-6-14-31)46-34-15-7-9-17-36(34)47(37-18-10-8-16-35(37)46)33-23-25-42-40(27-33)41-29-39-32(28-43(41)49(42,2)3)24-26-45-48(39)38-19-11-12-20-44(38)50-45;1-5-8-17-15(2)25(3,4)22-13-16-11-12-19-18-9-6-7-10-23(18)26-24(19)20(16)14-21(17)22;1-3-7-14-10-11-16(12-13(14)2)15-8-5-4-6-9-15;1-2-4-6-10-14-12-8-7-11-13(14)9-5-3-1;2*1-3-2;1-2/h5-34H,1-4H3;7-32,34,41H,1-4,33H2,5-6H3;4-13,15-29H,14H2,1-3H3;5-14H,1-2H2,3-4H3;3-6,8-12,14H,1-2,7H2;1-12H;2*3H,1H2,2H3;1-2H3/b12-7-,13-8+,43-5?,44-6?,45-18-,46-19-;8-7-,12-7-,13-8-,20-12+,21-13+,43-20+,44-21+,45-43+,46-44+,50-34+;30-21+,31-22-;17-8+;;2-1-,3-1-,4-2-,5-3+,6-4+,9-5+,10-6+,13-9-,14-10-;;;
InChIKeyJRHXVAUGPOIXPC-XLJJMAQJSA-N
MW2919.94 g/mol
LogP61.90
Rot. Bonds16

About benzo[10]annulene;20-[10-[(E,4E)-4-cyclohexa-2,4-dien-1-ylidenebut-2-en-2-yl]anthracen-9-yl]-16,16-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene;18-[9,10-di(ethylidene)-8-(6-phenylnaphthalen-2-yl)cyclodeca-1,3,5,7-tetraen-1-yl]-22,22-dimethyl-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16(21),17,19,23-undecaene;(6E)-4,4-dimethyl-5-methylidene-6-[2-[12-[3-(6-methylidene-4-phenylcyclohexa-2,4-dien-1-yl)prop-1-en-2-yl]benzo[10]annulen-5-yl]prop-2-enylidene]-20-oxapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene;(5E)-7,7-dimethyl-6-methylidene-5-prop-2-enylidene-20-oxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene;ethane;6-methylidene-2-phenyl-5-prop-2-enylcyclohexa-1,3-diene;bis(prop-1-ene)

benzo[10]annulene;20-[10-[(E,4E)-4-cyclohexa-2,4-dien-1-ylidenebut-2-en-2-yl]anthracen-9-yl]-16,16-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene;18-[9,10-di(ethylidene)-8-(6-phenylnaphthalen-2-yl)cyclodeca-1,3,5,7-tetraen-1-yl]-22,22-dimethyl-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16(21),17,19,23-undecaene;(6E)-4,4-dimethyl-5-methylidene-6-[2-[12-[3-(6-methylidene-4-phenylcyclohexa-2,4-dien-1-yl)prop-1-en-2-yl]benzo[10]annulen-5-yl]prop-2-enylidene]-20-oxapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene;(5E)-7,7-dimethyl-6-methylidene-5-prop-2-enylidene-20-oxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene;ethane;6-methylidene-2-phenyl-5-prop-2-enylcyclohexa-1,3-diene;bis(prop-1-ene) (PubChem CID 159000831) has the molecular formula C222H188O4 and a molecular weight of 2919.94 g/mol. Its IUPAC name is benzo[10]annulene;20-[10-[(E,4E)-4-cyclohexa-2,4-dien-1-ylidenebut-2-en-2-yl]anthracen-9-yl]-16,16-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene;18-[9,10-di(ethylidene)-8-(6-phenylnaphthalen-2-yl)cyclodeca-1,3,5,7-tetraen-1-yl]-22,22-dimethyl-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16(21),17,19,23-undecaene;(6E)-4,4-dimethyl-5-methylidene-6-[2-[12-[3-(6-methylidene-4-phenylcyclohexa-2,4-dien-1-yl)prop-1-en-2-yl]benzo[10]annulen-5-yl]prop-2-enylidene]-20-oxapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene;(5E)-7,7-dimethyl-6-methylidene-5-prop-2-enylidene-20-oxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene;ethane;6-methylidene-2-phenyl-5-prop-2-enylcyclohexa-1,3-diene;bis(prop-1-ene).

Molecular Properties

Compound Namebenzo[10]annulene;20-[10-[(E,4E)-4-cyclohexa-2,4-dien-1-ylidenebut-2-en-2-yl]anthracen-9-yl]-16,16-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene;18-[9,10-di(ethylidene)-8-(6-phenylnaphthalen-2-yl)cyclodeca-1,3,5,7-tetraen-1-yl]-22,22-dimethyl-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16(21),17,19,23-undecaene;(6E)-4,4-dimethyl-5-methylidene-6-[2-[12-[3-(6-methylidene-4-phenylcyclohexa-2,4-dien-1-yl)prop-1-en-2-yl]benzo[10]annulen-5-yl]prop-2-enylidene]-20-oxapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene;(5E)-7,7-dimethyl-6-methylidene-5-prop-2-enylidene-20-oxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene;ethane;6-methylidene-2-phenyl-5-prop-2-enylcyclohexa-1,3-diene;bis(prop-1-ene)
PubChem CID159000831
Molecular FormulaC222H188O4
Molecular Weight2919.94 g/mol
Exact Mass2917.45
IUPAC Namebenzo[10]annulene;20-[10-[(E,4E)-4-cyclohexa-2,4-dien-1-ylidenebut-2-en-2-yl]anthracen-9-yl]-16,16-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene;18-[9,10-di(ethylidene)-8-(6-phenylnaphthalen-2-yl)cyclodeca-1,3,5,7-tetraen-1-yl]-22,22-dimethyl-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16(21),17,19,23-undecaene;(6E)-4,4-dimethyl-5-methylidene-6-[2-[12-[3-(6-methylidene-4-phenylcyclohexa-2,4-dien-1-yl)prop-1-en-2-yl]benzo[10]annulen-5-yl]prop-2-enylidene]-20-oxapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene;(5E)-7,7-dimethyl-6-methylidene-5-prop-2-enylidene-20-oxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene;ethane;6-methylidene-2-phenyl-5-prop-2-enylcyclohexa-1,3-diene;bis(prop-1-ene)
SMILESC/C(=C\C=C1\C=CC=CC1)c1c2ccccc2c(-c2ccc3c(c2)-c2cc4c(ccc5oc6ccccc6c54)cc2C3(C)C)c2ccccc12.C=C(/C=C1\C(=C)C(C)(C)c2c1ccc1ccc3c4ccccc4oc3c21)c1ccccccc(C(=C)CC2C=CC(c3ccccc3)=CC2=C)c2ccccc12.C=C/C=C1\C(=C)C(C)(C)c2cc3ccc4c5ccccc5oc4c3cc21.C=CC.C=CC.C=CCC1C=CC(c2ccccc2)=CC1=C.CC.CC=c1c(-c2ccc3c(c2)-c2cc4cc5oc6ccccc6c5cc4cc2C3(C)C)ccccccc(-c2ccc3cc(-c4ccccc4)ccc3c2)c1=CC.c1ccccc2ccccc2ccc1
InChIInChI=1S/C55H42O.C55H44O.C49H36O.C25H20O.C16H16.C14H12.2C3H6.C2H6/c1-5-43-44(6-2)46(19-13-8-7-12-18-45(43)39-25-24-37-28-36(22-23-38(37)29-39)35-16-10-9-11-17-35)40-26-27-51-48(30-40)49-31-42-34-54-50(47-20-14-15-21-53(47)56-54)32-41(42)33-52(49)55(51,3)4;1-35-32-42(39-18-10-9-11-19-39)27-26-41(35)33-36(2)43-20-12-7-8-13-21-44(46-23-15-14-22-45(43)46)37(3)34-50-38(4)55(5,6)53-48(50)30-28-40-29-31-49-47-24-16-17-25-51(47)56-54(49)52(40)53;1-30(21-22-31-13-5-4-6-14-31)46-34-15-7-9-17-36(34)47(37-18-10-8-16-35(37)46)33-23-25-42-40(27-33)41-29-39-32(28-43(41)49(42,2)3)24-26-45-48(39)38-19-11-12-20-44(38)50-45;1-5-8-17-15(2)25(3,4)22-13-16-11-12-19-18-9-6-7-10-23(18)26-24(19)20(16)14-21(17)22;1-3-7-14-10-11-16(12-13(14)2)15-8-5-4-6-9-15;1-2-4-6-10-14-12-8-7-11-13(14)9-5-3-1;2*1-3-2;1-2/h5-34H,1-4H3;7-32,34,41H,1-4,33H2,5-6H3;4-13,15-29H,14H2,1-3H3;5-14H,1-2H2,3-4H3;3-6,8-12,14H,1-2,7H2;1-12H;2*3H,1H2,2H3;1-2H3/b12-7-,13-8+,43-5?,44-6?,45-18-,46-19-;8-7-,12-7-,13-8-,20-12+,21-13+,43-20+,44-21+,45-43+,46-44+,50-34+;30-21+,31-22-;17-8+;;2-1-,3-1-,4-2-,5-3+,6-4+,9-5+,10-6+,13-9-,14-10-;;;
InChIKeyJRHXVAUGPOIXPC-XLJJMAQJSA-N
XLogP61.90
TPSA52.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms226
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002919.94
LogP ≤ 561.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze benzo[10]annulene;20-[10-[(E,4E)-4-cyclohexa-2,4-dien-1-ylidenebut-2-en-2-yl]anthracen-9-yl]-16,16-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene;18-[9,10-di(ethylidene)-8-(6-phenylnaphthalen-2-yl)cyclodeca-1,3,5,7-tetraen-1-yl]-22,22-dimethyl-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16(21),17,19,23-undecaene;(6E)-4,4-dimethyl-5-methylidene-6-[2-[12-[3-(6-methylidene-4-phenylcyclohexa-2,4-dien-1-yl)prop-1-en-2-yl]benzo[10]annulen-5-yl]prop-2-enylidene]-20-oxapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene;(5E)-7,7-dimethyl-6-methylidene-5-prop-2-enylidene-20-oxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene;ethane;6-methylidene-2-phenyl-5-prop-2-enylcyclohexa-1,3-diene;bis(prop-1-ene) with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of benzo[10]annulene;20-[10-[(E,4E)-4-cyclohexa-2,4-dien-1-ylidenebut-2-en-2-yl]anthracen-9-yl]-16,16-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene;18-[9,10-di(ethylidene)-8-(6-phenylnaphthalen-2-yl)cyclodeca-1,3,5,7-tetraen-1-yl]-22,22-dimethyl-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16(21),17,19,23-undecaene;(6E)-4,4-dimethyl-5-methylidene-6-[2-[12-[3-(6-methylidene-4-phenylcyclohexa-2,4-dien-1-yl)prop-1-en-2-yl]benzo[10]annulen-5-yl]prop-2-enylidene]-20-oxapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene;(5E)-7,7-dimethyl-6-methylidene-5-prop-2-enylidene-20-oxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene;ethane;6-methylidene-2-phenyl-5-prop-2-enylcyclohexa-1,3-diene;bis(prop-1-ene)?
The IUPAC name of benzo[10]annulene;20-[10-[(E,4E)-4-cyclohexa-2,4-dien-1-ylidenebut-2-en-2-yl]anthracen-9-yl]-16,16-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene;18-[9,10-di(ethylidene)-8-(6-phenylnaphthalen-2-yl)cyclodeca-1,3,5,7-tetraen-1-yl]-22,22-dimethyl-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16(21),17,19,23-undecaene;(6E)-4,4-dimethyl-5-methylidene-6-[2-[12-[3-(6-methylidene-4-phenylcyclohexa-2,4-dien-1-yl)prop-1-en-2-yl]benzo[10]annulen-5-yl]prop-2-enylidene]-20-oxapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene;(5E)-7,7-dimethyl-6-methylidene-5-prop-2-enylidene-20-oxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene;ethane;6-methylidene-2-phenyl-5-prop-2-enylcyclohexa-1,3-diene;bis(prop-1-ene) (CID 159000831) is benzo[10]annulene;20-[10-[(E,4E)-4-cyclohexa-2,4-dien-1-ylidenebut-2-en-2-yl]anthracen-9-yl]-16,16-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene;18-[9,10-di(ethylidene)-8-(6-phenylnaphthalen-2-yl)cyclodeca-1,3,5,7-tetraen-1-yl]-22,22-dimethyl-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16(21),17,19,23-undecaene;(6E)-4,4-dimethyl-5-methylidene-6-[2-[12-[3-(6-methylidene-4-phenylcyclohexa-2,4-dien-1-yl)prop-1-en-2-yl]benzo[10]annulen-5-yl]prop-2-enylidene]-20-oxapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene;(5E)-7,7-dimethyl-6-methylidene-5-prop-2-enylidene-20-oxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene;ethane;6-methylidene-2-phenyl-5-prop-2-enylcyclohexa-1,3-diene;bis(prop-1-ene).
What is the SMILES notation for benzo[10]annulene;20-[10-[(E,4E)-4-cyclohexa-2,4-dien-1-ylidenebut-2-en-2-yl]anthracen-9-yl]-16,16-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene;18-[9,10-di(ethylidene)-8-(6-phenylnaphthalen-2-yl)cyclodeca-1,3,5,7-tetraen-1-yl]-22,22-dimethyl-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16(21),17,19,23-undecaene;(6E)-4,4-dimethyl-5-methylidene-6-[2-[12-[3-(6-methylidene-4-phenylcyclohexa-2,4-dien-1-yl)prop-1-en-2-yl]benzo[10]annulen-5-yl]prop-2-enylidene]-20-oxapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene;(5E)-7,7-dimethyl-6-methylidene-5-prop-2-enylidene-20-oxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene;ethane;6-methylidene-2-phenyl-5-prop-2-enylcyclohexa-1,3-diene;bis(prop-1-ene)?
The canonical SMILES for benzo[10]annulene;20-[10-[(E,4E)-4-cyclohexa-2,4-dien-1-ylidenebut-2-en-2-yl]anthracen-9-yl]-16,16-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene;18-[9,10-di(ethylidene)-8-(6-phenylnaphthalen-2-yl)cyclodeca-1,3,5,7-tetraen-1-yl]-22,22-dimethyl-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16(21),17,19,23-undecaene;(6E)-4,4-dimethyl-5-methylidene-6-[2-[12-[3-(6-methylidene-4-phenylcyclohexa-2,4-dien-1-yl)prop-1-en-2-yl]benzo[10]annulen-5-yl]prop-2-enylidene]-20-oxapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene;(5E)-7,7-dimethyl-6-methylidene-5-prop-2-enylidene-20-oxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene;ethane;6-methylidene-2-phenyl-5-prop-2-enylcyclohexa-1,3-diene;bis(prop-1-ene) is C/C(=C\C=C1\C=CC=CC1)c1c2ccccc2c(-c2ccc3c(c2)-c2cc4c(ccc5oc6ccccc6c54)cc2C3(C)C)c2ccccc12.C=C(/C=C1\C(=C)C(C)(C)c2c1ccc1ccc3c4ccccc4oc3c21)c1ccccccc(C(=C)CC2C=CC(c3ccccc3)=CC2=C)c2ccccc12.C=C/C=C1\C(=C)C(C)(C)c2cc3ccc4c5ccccc5oc4c3cc21.C=CC.C=CC.C=CCC1C=CC(c2ccccc2)=CC1=C.CC.CC=c1c(-c2ccc3c(c2)-c2cc4cc5oc6ccccc6c5cc4cc2C3(C)C)ccccccc(-c2ccc3cc(-c4ccccc4)ccc3c2)c1=CC.c1ccccc2ccccc2ccc1.
What is the InChIKey of benzo[10]annulene;20-[10-[(E,4E)-4-cyclohexa-2,4-dien-1-ylidenebut-2-en-2-yl]anthracen-9-yl]-16,16-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene;18-[9,10-di(ethylidene)-8-(6-phenylnaphthalen-2-yl)cyclodeca-1,3,5,7-tetraen-1-yl]-22,22-dimethyl-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16(21),17,19,23-undecaene;(6E)-4,4-dimethyl-5-methylidene-6-[2-[12-[3-(6-methylidene-4-phenylcyclohexa-2,4-dien-1-yl)prop-1-en-2-yl]benzo[10]annulen-5-yl]prop-2-enylidene]-20-oxapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene;(5E)-7,7-dimethyl-6-methylidene-5-prop-2-enylidene-20-oxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene;ethane;6-methylidene-2-phenyl-5-prop-2-enylcyclohexa-1,3-diene;bis(prop-1-ene)?
The InChIKey is JRHXVAUGPOIXPC-XLJJMAQJSA-N. The full InChI is InChI=1S/C55H42O.C55H44O.C49H36O.C25H20O.C16H16.C14H12.2C3H6.C2H6/c1-5-43-44(6-2)46(19-13-8-7-12-18-45(43)39-25-24-37-28-36(22-23-38(37)29-39)35-16-10-9-11-17-35)40-26-27-51-48(30-40)49-31-42-34-54-50(47-20-14-15-21-53(47)56-54)32-41(42)33-52(49)55(51,3)4;1-35-32-42(39-18-10-9-11-19-39)27-26-41(35)33-36(2)43-20-12-7-8-13-21-44(46-23-15-14-22-45(43)46)37(3)34-50-38(4)55(5,6)53-48(50)30-28-40-29-31-49-47-24-16-17-25-51(47)56-54(49)52(40)53;1-30(21-22-31-13-5-4-6-14-31)46-34-15-7-9-17-36(34)47(37-18-10-8-16-35(37)46)33-23-25-42-40(27-33)41-29-39-32(28-43(41)49(42,2)3)24-26-45-48(39)38-19-11-12-20-44(38)50-45;1-5-8-17-15(2)25(3,4)22-13-16-11-12-19-18-9-6-7-10-23(18)26-24(19)20(16)14-21(17)22;1-3-7-14-10-11-16(12-13(14)2)15-8-5-4-6-9-15;1-2-4-6-10-14-12-8-7-11-13(14)9-5-3-1;2*1-3-2;1-2/h5-34H,1-4H3;7-32,34,41H,1-4,33H2,5-6H3;4-13,15-29H,14H2,1-3H3;5-14H,1-2H2,3-4H3;3-6,8-12,14H,1-2,7H2;1-12H;2*3H,1H2,2H3;1-2H3/b12-7-,13-8+,43-5?,44-6?,45-18-,46-19-;8-7-,12-7-,13-8-,20-12+,21-13+,43-20+,44-21+,45-43+,46-44+,50-34+;30-21+,31-22-;17-8+;;2-1-,3-1-,4-2-,5-3+,6-4+,9-5+,10-6+,13-9-,14-10-;;;.
What are the key properties of benzo[10]annulene;20-[10-[(E,4E)-4-cyclohexa-2,4-dien-1-ylidenebut-2-en-2-yl]anthracen-9-yl]-16,16-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene;18-[9,10-di(ethylidene)-8-(6-phenylnaphthalen-2-yl)cyclodeca-1,3,5,7-tetraen-1-yl]-22,22-dimethyl-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16(21),17,19,23-undecaene;(6E)-4,4-dimethyl-5-methylidene-6-[2-[12-[3-(6-methylidene-4-phenylcyclohexa-2,4-dien-1-yl)prop-1-en-2-yl]benzo[10]annulen-5-yl]prop-2-enylidene]-20-oxapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene;(5E)-7,7-dimethyl-6-methylidene-5-prop-2-enylidene-20-oxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene;ethane;6-methylidene-2-phenyl-5-prop-2-enylcyclohexa-1,3-diene;bis(prop-1-ene)?
benzo[10]annulene;20-[10-[(E,4E)-4-cyclohexa-2,4-dien-1-ylidenebut-2-en-2-yl]anthracen-9-yl]-16,16-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene;18-[9,10-di(ethylidene)-8-(6-phenylnaphthalen-2-yl)cyclodeca-1,3,5,7-tetraen-1-yl]-22,22-dimethyl-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16(21),17,19,23-undecaene;(6E)-4,4-dimethyl-5-methylidene-6-[2-[12-[3-(6-methylidene-4-phenylcyclohexa-2,4-dien-1-yl)prop-1-en-2-yl]benzo[10]annulen-5-yl]prop-2-enylidene]-20-oxapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene;(5E)-7,7-dimethyl-6-methylidene-5-prop-2-enylidene-20-oxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene;ethane;6-methylidene-2-phenyl-5-prop-2-enylcyclohexa-1,3-diene;bis(prop-1-ene) has a molecular weight of 2919.94 g/mol, XLogP of 61.90, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[10]annulene;20-[10-[(E,4E)-4-cyclohexa-2,4-dien-1-ylidenebut-2-en-2-yl]anthracen-9-yl]-16,16-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene;18-[9,10-di(ethylidene)-8-(6-phenylnaphthalen-2-yl)cyclodeca-1,3,5,7-tetraen-1-yl]-22,22-dimethyl-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16(21),17,19,23-undecaene;(6E)-4,4-dimethyl-5-methylidene-6-[2-[12-[3-(6-methylidene-4-phenylcyclohexa-2,4-dien-1-yl)prop-1-en-2-yl]benzo[10]annulen-5-yl]prop-2-enylidene]-20-oxapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene;(5E)-7,7-dimethyl-6-methylidene-5-prop-2-enylidene-20-oxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene;ethane;6-methylidene-2-phenyl-5-prop-2-enylcyclohexa-1,3-diene;bis(prop-1-ene) is sourced from PubChem (CID 159000831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).