benzene;22-[3-[2,3-bis(ethenyl)-4-phenyl-6,7-dihydronaphthalen-1-yl]phenyl]-3-oxa-18-thiapentacyclo[15.7.0.02,10.04,9.011,16]tetracosa-1(17),2(10),4(9),5,12,14,19,21,23-nonaene;(2Z,3Z)-2,3-di(ethylidene)naphthalene;(3Z)-3-[[2-[5-[(2E,3E)-2,3-di(ethylidene)-4-phenylnaphthalen-1-yl]cyclohexa-1,5-dien-1-yl]-4-methyldibenzothiophen-3-yl]methylidene]-1-benzofuran;(3Z)-3-[(2E,4E,6Z)-8-[12-[(2E,4Z)-hexa-2,4-dien-2-yl]benzo[10]annulen-5-yl]nona-2,4,6,8-tetraenylidene]-4-methylidene-5-oxa-14-thiapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15,17,19-octaene;18-phenyl-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene

C192H150O4S4 — CID 157357869

IUPACbenzene;22-[3-[2,3-bis(ethenyl)-4-phenyl-6,7-dihydronaphthalen-1-yl]phenyl]-3-oxa-18-thiapentacyclo[15.7.0.02,10.04,9.011,16]tetracosa-1(17),2(10),4(9),5,12,14,19,21,23-nonaene;(2Z,3Z)-2,3-di(ethylidene)naphthalene;(3Z)-3-[[2-[5-[(2E,3E)-2,3-di(ethylidene)-4-phenylnaphthalen-1-yl]cyclohexa-1,5-dien-1-yl]-4-methyldibenzothiophen-3-yl]methylidene]-1-benzofuran;(3Z)-3-[(2E,4E,6Z)-8-[12-[(2E,4Z)-hexa-2,4-dien-2-yl]benzo[10]annulen-5-yl]nona-2,4,6,8-tetraenylidene]-4-methylidene-5-oxa-14-thiapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15,17,19-octaene;18-phenyl-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene
SMILESC/C=c1/c(C2=CC(c3cc4c(sc5ccccc54)c(C)c3/C=C3\COc4ccccc43)=CCC2)c2ccccc2c(-c2ccccc2)/c1=C/C.C/C=c1/cc2ccccc2c/c1=C/C.C=C(/C=C\C=C\C=C\C=c1/c(=C)oc2c3ccccc3c3sc4ccccc4c3c12)c1ccccccc(/C(C)=C/C=C\C)c2ccccc12.C=Cc1c(C=C)c(-c2cccc(-c3cccsc4c(cc3)-c3oc5c(c3C3C=CC=CC43)CCC=C5)c2)c2c(c1-c1ccccc1)=CCCC=2.c1ccc(-c2ccc3c(c2)sc2c3ccc3c2ccc2c4ccccc4oc23)cc1.c1ccccc1
InChIInChI=1S/3C48H38OS.C28H16OS.C14H14.C6H6/c1-4-35-36(5-2)47(40-23-10-9-22-39(40)46(35)31-16-7-6-8-17-31)33-19-15-18-32(26-33)42-28-43-38-21-12-14-25-45(38)50-48(43)30(3)41(42)27-34-29-49-44-24-13-11-20-37(34)44;1-3-35-36(4-2)45(38-22-9-8-21-37(38)44(35)32-16-6-5-7-17-32)34-19-14-18-33(30-34)31-20-15-29-50-48-40-24-11-10-23-39(40)46-41-25-12-13-26-43(41)49-47(46)42(48)28-27-31;1-5-6-22-33(2)36-24-13-10-11-14-25-37(40-28-17-16-27-39(36)40)34(3)23-12-8-7-9-15-26-38-35(4)49-47-41-29-18-19-30-42(41)48-46(45(38)47)43-31-20-21-32-44(43)50-48;1-2-6-17(7-3-1)18-10-11-20-23-14-13-22-24(28(23)30-26(20)16-18)15-12-21-19-8-4-5-9-25(19)29-27(21)22;1-3-11-9-13-7-5-6-8-14(13)10-12(11)4-2;1-2-4-6-5-3-1/h4-14,16-18,20-28H,15,19,29H2,1-3H3;3-7,10-11,13-24,26-30,39-40H,1-2,8-9,12,25H2;5-32H,3-4H2,1-2H3;1-16H;3-10H,1-2H3;1-6H/b34-27+,35-4+,36-5+;28-27-,29-15-,31-20+;6-5-,8-7+,11-10-,13-10-,14-11-,15-9+,23-12-,24-13+,25-14+,33-22+,36-24+,37-25+,38-26+,39-36+,40-37+;;11-3-,12-4-;
InChIKeyBIHKNAIHXWBRPY-PGBBUQOVSA-N
MW2649.58 g/mol
LogP49.70
Rot. Bonds17

About benzene;22-[3-[2,3-bis(ethenyl)-4-phenyl-6,7-dihydronaphthalen-1-yl]phenyl]-3-oxa-18-thiapentacyclo[15.7.0.02,10.04,9.011,16]tetracosa-1(17),2(10),4(9),5,12,14,19,21,23-nonaene;(2Z,3Z)-2,3-di(ethylidene)naphthalene;(3Z)-3-[[2-[5-[(2E,3E)-2,3-di(ethylidene)-4-phenylnaphthalen-1-yl]cyclohexa-1,5-dien-1-yl]-4-methyldibenzothiophen-3-yl]methylidene]-1-benzofuran;(3Z)-3-[(2E,4E,6Z)-8-[12-[(2E,4Z)-hexa-2,4-dien-2-yl]benzo[10]annulen-5-yl]nona-2,4,6,8-tetraenylidene]-4-methylidene-5-oxa-14-thiapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15,17,19-octaene;18-phenyl-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene

benzene;22-[3-[2,3-bis(ethenyl)-4-phenyl-6,7-dihydronaphthalen-1-yl]phenyl]-3-oxa-18-thiapentacyclo[15.7.0.02,10.04,9.011,16]tetracosa-1(17),2(10),4(9),5,12,14,19,21,23-nonaene;(2Z,3Z)-2,3-di(ethylidene)naphthalene;(3Z)-3-[[2-[5-[(2E,3E)-2,3-di(ethylidene)-4-phenylnaphthalen-1-yl]cyclohexa-1,5-dien-1-yl]-4-methyldibenzothiophen-3-yl]methylidene]-1-benzofuran;(3Z)-3-[(2E,4E,6Z)-8-[12-[(2E,4Z)-hexa-2,4-dien-2-yl]benzo[10]annulen-5-yl]nona-2,4,6,8-tetraenylidene]-4-methylidene-5-oxa-14-thiapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15,17,19-octaene;18-phenyl-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene (PubChem CID 157357869) has the molecular formula C192H150O4S4 and a molecular weight of 2649.58 g/mol. Its IUPAC name is benzene;22-[3-[2,3-bis(ethenyl)-4-phenyl-6,7-dihydronaphthalen-1-yl]phenyl]-3-oxa-18-thiapentacyclo[15.7.0.02,10.04,9.011,16]tetracosa-1(17),2(10),4(9),5,12,14,19,21,23-nonaene;(2Z,3Z)-2,3-di(ethylidene)naphthalene;(3Z)-3-[[2-[5-[(2E,3E)-2,3-di(ethylidene)-4-phenylnaphthalen-1-yl]cyclohexa-1,5-dien-1-yl]-4-methyldibenzothiophen-3-yl]methylidene]-1-benzofuran;(3Z)-3-[(2E,4E,6Z)-8-[12-[(2E,4Z)-hexa-2,4-dien-2-yl]benzo[10]annulen-5-yl]nona-2,4,6,8-tetraenylidene]-4-methylidene-5-oxa-14-thiapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15,17,19-octaene;18-phenyl-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene.

Molecular Properties

Compound Namebenzene;22-[3-[2,3-bis(ethenyl)-4-phenyl-6,7-dihydronaphthalen-1-yl]phenyl]-3-oxa-18-thiapentacyclo[15.7.0.02,10.04,9.011,16]tetracosa-1(17),2(10),4(9),5,12,14,19,21,23-nonaene;(2Z,3Z)-2,3-di(ethylidene)naphthalene;(3Z)-3-[[2-[5-[(2E,3E)-2,3-di(ethylidene)-4-phenylnaphthalen-1-yl]cyclohexa-1,5-dien-1-yl]-4-methyldibenzothiophen-3-yl]methylidene]-1-benzofuran;(3Z)-3-[(2E,4E,6Z)-8-[12-[(2E,4Z)-hexa-2,4-dien-2-yl]benzo[10]annulen-5-yl]nona-2,4,6,8-tetraenylidene]-4-methylidene-5-oxa-14-thiapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15,17,19-octaene;18-phenyl-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene
PubChem CID157357869
Molecular FormulaC192H150O4S4
Molecular Weight2649.58 g/mol
Exact Mass2647.04
IUPAC Namebenzene;22-[3-[2,3-bis(ethenyl)-4-phenyl-6,7-dihydronaphthalen-1-yl]phenyl]-3-oxa-18-thiapentacyclo[15.7.0.02,10.04,9.011,16]tetracosa-1(17),2(10),4(9),5,12,14,19,21,23-nonaene;(2Z,3Z)-2,3-di(ethylidene)naphthalene;(3Z)-3-[[2-[5-[(2E,3E)-2,3-di(ethylidene)-4-phenylnaphthalen-1-yl]cyclohexa-1,5-dien-1-yl]-4-methyldibenzothiophen-3-yl]methylidene]-1-benzofuran;(3Z)-3-[(2E,4E,6Z)-8-[12-[(2E,4Z)-hexa-2,4-dien-2-yl]benzo[10]annulen-5-yl]nona-2,4,6,8-tetraenylidene]-4-methylidene-5-oxa-14-thiapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15,17,19-octaene;18-phenyl-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene
SMILESC/C=c1/c(C2=CC(c3cc4c(sc5ccccc54)c(C)c3/C=C3\COc4ccccc43)=CCC2)c2ccccc2c(-c2ccccc2)/c1=C/C.C/C=c1/cc2ccccc2c/c1=C/C.C=C(/C=C\C=C\C=C\C=c1/c(=C)oc2c3ccccc3c3sc4ccccc4c3c12)c1ccccccc(/C(C)=C/C=C\C)c2ccccc12.C=Cc1c(C=C)c(-c2cccc(-c3cccsc4c(cc3)-c3oc5c(c3C3C=CC=CC43)CCC=C5)c2)c2c(c1-c1ccccc1)=CCCC=2.c1ccc(-c2ccc3c(c2)sc2c3ccc3c2ccc2c4ccccc4oc23)cc1.c1ccccc1
InChIInChI=1S/3C48H38OS.C28H16OS.C14H14.C6H6/c1-4-35-36(5-2)47(40-23-10-9-22-39(40)46(35)31-16-7-6-8-17-31)33-19-15-18-32(26-33)42-28-43-38-21-12-14-25-45(38)50-48(43)30(3)41(42)27-34-29-49-44-24-13-11-20-37(34)44;1-3-35-36(4-2)45(38-22-9-8-21-37(38)44(35)32-16-6-5-7-17-32)34-19-14-18-33(30-34)31-20-15-29-50-48-40-24-11-10-23-39(40)46-41-25-12-13-26-43(41)49-47(46)42(48)28-27-31;1-5-6-22-33(2)36-24-13-10-11-14-25-37(40-28-17-16-27-39(36)40)34(3)23-12-8-7-9-15-26-38-35(4)49-47-41-29-18-19-30-42(41)48-46(45(38)47)43-31-20-21-32-44(43)50-48;1-2-6-17(7-3-1)18-10-11-20-23-14-13-22-24(28(23)30-26(20)16-18)15-12-21-19-8-4-5-9-25(19)29-27(21)22;1-3-11-9-13-7-5-6-8-14(13)10-12(11)4-2;1-2-4-6-5-3-1/h4-14,16-18,20-28H,15,19,29H2,1-3H3;3-7,10-11,13-24,26-30,39-40H,1-2,8-9,12,25H2;5-32H,3-4H2,1-2H3;1-16H;3-10H,1-2H3;1-6H/b34-27+,35-4+,36-5+;28-27-,29-15-,31-20+;6-5-,8-7+,11-10-,13-10-,14-11-,15-9+,23-12-,24-13+,25-14+,33-22+,36-24+,37-25+,38-26+,39-36+,40-37+;;11-3-,12-4-;
InChIKeyBIHKNAIHXWBRPY-PGBBUQOVSA-N
XLogP49.70
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms200
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002649.58
LogP ≤ 549.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze benzene;22-[3-[2,3-bis(ethenyl)-4-phenyl-6,7-dihydronaphthalen-1-yl]phenyl]-3-oxa-18-thiapentacyclo[15.7.0.02,10.04,9.011,16]tetracosa-1(17),2(10),4(9),5,12,14,19,21,23-nonaene;(2Z,3Z)-2,3-di(ethylidene)naphthalene;(3Z)-3-[[2-[5-[(2E,3E)-2,3-di(ethylidene)-4-phenylnaphthalen-1-yl]cyclohexa-1,5-dien-1-yl]-4-methyldibenzothiophen-3-yl]methylidene]-1-benzofuran;(3Z)-3-[(2E,4E,6Z)-8-[12-[(2E,4Z)-hexa-2,4-dien-2-yl]benzo[10]annulen-5-yl]nona-2,4,6,8-tetraenylidene]-4-methylidene-5-oxa-14-thiapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15,17,19-octaene;18-phenyl-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzene;22-[3-[2,3-bis(ethenyl)-4-phenyl-6,7-dihydronaphthalen-1-yl]phenyl]-3-oxa-18-thiapentacyclo[15.7.0.02,10.04,9.011,16]tetracosa-1(17),2(10),4(9),5,12,14,19,21,23-nonaene;(2Z,3Z)-2,3-di(ethylidene)naphthalene;(3Z)-3-[[2-[5-[(2E,3E)-2,3-di(ethylidene)-4-phenylnaphthalen-1-yl]cyclohexa-1,5-dien-1-yl]-4-methyldibenzothiophen-3-yl]methylidene]-1-benzofuran;(3Z)-3-[(2E,4E,6Z)-8-[12-[(2E,4Z)-hexa-2,4-dien-2-yl]benzo[10]annulen-5-yl]nona-2,4,6,8-tetraenylidene]-4-methylidene-5-oxa-14-thiapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15,17,19-octaene;18-phenyl-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene?
The IUPAC name of benzene;22-[3-[2,3-bis(ethenyl)-4-phenyl-6,7-dihydronaphthalen-1-yl]phenyl]-3-oxa-18-thiapentacyclo[15.7.0.02,10.04,9.011,16]tetracosa-1(17),2(10),4(9),5,12,14,19,21,23-nonaene;(2Z,3Z)-2,3-di(ethylidene)naphthalene;(3Z)-3-[[2-[5-[(2E,3E)-2,3-di(ethylidene)-4-phenylnaphthalen-1-yl]cyclohexa-1,5-dien-1-yl]-4-methyldibenzothiophen-3-yl]methylidene]-1-benzofuran;(3Z)-3-[(2E,4E,6Z)-8-[12-[(2E,4Z)-hexa-2,4-dien-2-yl]benzo[10]annulen-5-yl]nona-2,4,6,8-tetraenylidene]-4-methylidene-5-oxa-14-thiapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15,17,19-octaene;18-phenyl-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene (CID 157357869) is benzene;22-[3-[2,3-bis(ethenyl)-4-phenyl-6,7-dihydronaphthalen-1-yl]phenyl]-3-oxa-18-thiapentacyclo[15.7.0.02,10.04,9.011,16]tetracosa-1(17),2(10),4(9),5,12,14,19,21,23-nonaene;(2Z,3Z)-2,3-di(ethylidene)naphthalene;(3Z)-3-[[2-[5-[(2E,3E)-2,3-di(ethylidene)-4-phenylnaphthalen-1-yl]cyclohexa-1,5-dien-1-yl]-4-methyldibenzothiophen-3-yl]methylidene]-1-benzofuran;(3Z)-3-[(2E,4E,6Z)-8-[12-[(2E,4Z)-hexa-2,4-dien-2-yl]benzo[10]annulen-5-yl]nona-2,4,6,8-tetraenylidene]-4-methylidene-5-oxa-14-thiapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15,17,19-octaene;18-phenyl-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene.
What is the SMILES notation for benzene;22-[3-[2,3-bis(ethenyl)-4-phenyl-6,7-dihydronaphthalen-1-yl]phenyl]-3-oxa-18-thiapentacyclo[15.7.0.02,10.04,9.011,16]tetracosa-1(17),2(10),4(9),5,12,14,19,21,23-nonaene;(2Z,3Z)-2,3-di(ethylidene)naphthalene;(3Z)-3-[[2-[5-[(2E,3E)-2,3-di(ethylidene)-4-phenylnaphthalen-1-yl]cyclohexa-1,5-dien-1-yl]-4-methyldibenzothiophen-3-yl]methylidene]-1-benzofuran;(3Z)-3-[(2E,4E,6Z)-8-[12-[(2E,4Z)-hexa-2,4-dien-2-yl]benzo[10]annulen-5-yl]nona-2,4,6,8-tetraenylidene]-4-methylidene-5-oxa-14-thiapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15,17,19-octaene;18-phenyl-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene?
The canonical SMILES for benzene;22-[3-[2,3-bis(ethenyl)-4-phenyl-6,7-dihydronaphthalen-1-yl]phenyl]-3-oxa-18-thiapentacyclo[15.7.0.02,10.04,9.011,16]tetracosa-1(17),2(10),4(9),5,12,14,19,21,23-nonaene;(2Z,3Z)-2,3-di(ethylidene)naphthalene;(3Z)-3-[[2-[5-[(2E,3E)-2,3-di(ethylidene)-4-phenylnaphthalen-1-yl]cyclohexa-1,5-dien-1-yl]-4-methyldibenzothiophen-3-yl]methylidene]-1-benzofuran;(3Z)-3-[(2E,4E,6Z)-8-[12-[(2E,4Z)-hexa-2,4-dien-2-yl]benzo[10]annulen-5-yl]nona-2,4,6,8-tetraenylidene]-4-methylidene-5-oxa-14-thiapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15,17,19-octaene;18-phenyl-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene is C/C=c1/c(C2=CC(c3cc4c(sc5ccccc54)c(C)c3/C=C3\COc4ccccc43)=CCC2)c2ccccc2c(-c2ccccc2)/c1=C/C.C/C=c1/cc2ccccc2c/c1=C/C.C=C(/C=C\C=C\C=C\C=c1/c(=C)oc2c3ccccc3c3sc4ccccc4c3c12)c1ccccccc(/C(C)=C/C=C\C)c2ccccc12.C=Cc1c(C=C)c(-c2cccc(-c3cccsc4c(cc3)-c3oc5c(c3C3C=CC=CC43)CCC=C5)c2)c2c(c1-c1ccccc1)=CCCC=2.c1ccc(-c2ccc3c(c2)sc2c3ccc3c2ccc2c4ccccc4oc23)cc1.c1ccccc1.
What is the InChIKey of benzene;22-[3-[2,3-bis(ethenyl)-4-phenyl-6,7-dihydronaphthalen-1-yl]phenyl]-3-oxa-18-thiapentacyclo[15.7.0.02,10.04,9.011,16]tetracosa-1(17),2(10),4(9),5,12,14,19,21,23-nonaene;(2Z,3Z)-2,3-di(ethylidene)naphthalene;(3Z)-3-[[2-[5-[(2E,3E)-2,3-di(ethylidene)-4-phenylnaphthalen-1-yl]cyclohexa-1,5-dien-1-yl]-4-methyldibenzothiophen-3-yl]methylidene]-1-benzofuran;(3Z)-3-[(2E,4E,6Z)-8-[12-[(2E,4Z)-hexa-2,4-dien-2-yl]benzo[10]annulen-5-yl]nona-2,4,6,8-tetraenylidene]-4-methylidene-5-oxa-14-thiapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15,17,19-octaene;18-phenyl-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene?
The InChIKey is BIHKNAIHXWBRPY-PGBBUQOVSA-N. The full InChI is InChI=1S/3C48H38OS.C28H16OS.C14H14.C6H6/c1-4-35-36(5-2)47(40-23-10-9-22-39(40)46(35)31-16-7-6-8-17-31)33-19-15-18-32(26-33)42-28-43-38-21-12-14-25-45(38)50-48(43)30(3)41(42)27-34-29-49-44-24-13-11-20-37(34)44;1-3-35-36(4-2)45(38-22-9-8-21-37(38)44(35)32-16-6-5-7-17-32)34-19-14-18-33(30-34)31-20-15-29-50-48-40-24-11-10-23-39(40)46-41-25-12-13-26-43(41)49-47(46)42(48)28-27-31;1-5-6-22-33(2)36-24-13-10-11-14-25-37(40-28-17-16-27-39(36)40)34(3)23-12-8-7-9-15-26-38-35(4)49-47-41-29-18-19-30-42(41)48-46(45(38)47)43-31-20-21-32-44(43)50-48;1-2-6-17(7-3-1)18-10-11-20-23-14-13-22-24(28(23)30-26(20)16-18)15-12-21-19-8-4-5-9-25(19)29-27(21)22;1-3-11-9-13-7-5-6-8-14(13)10-12(11)4-2;1-2-4-6-5-3-1/h4-14,16-18,20-28H,15,19,29H2,1-3H3;3-7,10-11,13-24,26-30,39-40H,1-2,8-9,12,25H2;5-32H,3-4H2,1-2H3;1-16H;3-10H,1-2H3;1-6H/b34-27+,35-4+,36-5+;28-27-,29-15-,31-20+;6-5-,8-7+,11-10-,13-10-,14-11-,15-9+,23-12-,24-13+,25-14+,33-22+,36-24+,37-25+,38-26+,39-36+,40-37+;;11-3-,12-4-;.
What are the key properties of benzene;22-[3-[2,3-bis(ethenyl)-4-phenyl-6,7-dihydronaphthalen-1-yl]phenyl]-3-oxa-18-thiapentacyclo[15.7.0.02,10.04,9.011,16]tetracosa-1(17),2(10),4(9),5,12,14,19,21,23-nonaene;(2Z,3Z)-2,3-di(ethylidene)naphthalene;(3Z)-3-[[2-[5-[(2E,3E)-2,3-di(ethylidene)-4-phenylnaphthalen-1-yl]cyclohexa-1,5-dien-1-yl]-4-methyldibenzothiophen-3-yl]methylidene]-1-benzofuran;(3Z)-3-[(2E,4E,6Z)-8-[12-[(2E,4Z)-hexa-2,4-dien-2-yl]benzo[10]annulen-5-yl]nona-2,4,6,8-tetraenylidene]-4-methylidene-5-oxa-14-thiapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15,17,19-octaene;18-phenyl-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene?
benzene;22-[3-[2,3-bis(ethenyl)-4-phenyl-6,7-dihydronaphthalen-1-yl]phenyl]-3-oxa-18-thiapentacyclo[15.7.0.02,10.04,9.011,16]tetracosa-1(17),2(10),4(9),5,12,14,19,21,23-nonaene;(2Z,3Z)-2,3-di(ethylidene)naphthalene;(3Z)-3-[[2-[5-[(2E,3E)-2,3-di(ethylidene)-4-phenylnaphthalen-1-yl]cyclohexa-1,5-dien-1-yl]-4-methyldibenzothiophen-3-yl]methylidene]-1-benzofuran;(3Z)-3-[(2E,4E,6Z)-8-[12-[(2E,4Z)-hexa-2,4-dien-2-yl]benzo[10]annulen-5-yl]nona-2,4,6,8-tetraenylidene]-4-methylidene-5-oxa-14-thiapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15,17,19-octaene;18-phenyl-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene has a molecular weight of 2649.58 g/mol, XLogP of 49.70, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;22-[3-[2,3-bis(ethenyl)-4-phenyl-6,7-dihydronaphthalen-1-yl]phenyl]-3-oxa-18-thiapentacyclo[15.7.0.02,10.04,9.011,16]tetracosa-1(17),2(10),4(9),5,12,14,19,21,23-nonaene;(2Z,3Z)-2,3-di(ethylidene)naphthalene;(3Z)-3-[[2-[5-[(2E,3E)-2,3-di(ethylidene)-4-phenylnaphthalen-1-yl]cyclohexa-1,5-dien-1-yl]-4-methyldibenzothiophen-3-yl]methylidene]-1-benzofuran;(3Z)-3-[(2E,4E,6Z)-8-[12-[(2E,4Z)-hexa-2,4-dien-2-yl]benzo[10]annulen-5-yl]nona-2,4,6,8-tetraenylidene]-4-methylidene-5-oxa-14-thiapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15,17,19-octaene;18-phenyl-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene is sourced from PubChem (CID 157357869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).