2-[10-(23,23-dimethyl-9-thiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaen-19-yl)anthracen-9-yl]dibenzofuran;3-[10-(16,16-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaen-20-yl)anthracen-9-yl]dibenzofuran;3-[10-(16,16-dimethyl-9-thiahexacyclo[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-undecaen-20-yl)anthracen-9-yl]dibenzofuran;3-[10-(22,22-dimethyl-10-thiahexacyclo[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-undecaen-18-yl)anthracen-9-yl]dibenzofuran;3-[10-(23,23-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaen-19-yl)anthracen-9-yl]dibenzofuran

C255H160O5S5 — CID 163469599

IUPAC2-[10-(23,23-dimethyl-9-thiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaen-19-yl)anthracen-9-yl]dibenzofuran;3-[10-(16,16-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaen-20-yl)anthracen-9-yl]dibenzofuran;3-[10-(16,16-dimethyl-9-thiahexacyclo[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-undecaen-20-yl)anthracen-9-yl]dibenzofuran;3-[10-(22,22-dimethyl-10-thiahexacyclo[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-undecaen-18-yl)anthracen-9-yl]dibenzofuran;3-[10-(23,23-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaen-19-yl)anthracen-9-yl]dibenzofuran
SMILESCC1(C)c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccccc45)c4ccccc34)cc2-c2cc3c(ccc4c5ccccc5sc34)cc21.CC1(C)c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccccc45)c4ccccc34)cc2-c2cc3c(ccc4sc5ccccc5c43)cc21.CC1(C)c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccccc45)c4ccccc34)cc2-c2cc3cc4sc5ccccc5c4cc3cc21.CC1(C)c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccccc45)c4ccccc34)cc2-c2ccc3ccc4c5ccccc5sc4c3c21.CC1(C)c2ccc(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)cc2-c2ccc3ccc4sc5ccccc5c4c3c21
InChIInChI=1S/5C51H32OS/c1-51(2)42-26-22-30(27-41(42)39-24-19-29-20-25-40-34-12-8-10-18-45(34)53-50(40)48(29)49(39)51)46-35-13-3-5-15-37(35)47(38-16-6-4-14-36(38)46)31-21-23-33-32-11-7-9-17-43(32)52-44(33)28-31;1-51(2)43-24-21-30(25-41(43)42-28-40-29(26-44(42)51)19-23-39-34-12-8-10-18-47(34)53-50(39)40)48-35-13-3-5-15-37(35)49(38-16-6-4-14-36(38)48)31-20-22-33-32-11-7-9-17-45(32)52-46(33)27-31;1-51(2)43-22-20-29(23-40(43)41-24-32-28-48-42(25-31(32)26-44(41)51)35-12-8-10-18-47(35)53-48)49-36-13-3-5-15-38(36)50(39-16-6-4-14-37(39)49)30-19-21-34-33-11-7-9-17-45(33)52-46(34)27-30;1-51(2)41-24-20-30(27-39(41)37-23-19-29-22-26-45-49(48(29)50(37)51)38-16-8-10-18-44(38)53-45)46-33-12-3-5-14-35(33)47(36-15-6-4-13-34(36)46)31-21-25-43-40(28-31)32-11-7-9-17-42(32)52-43;1-51(2)42-23-20-30(25-40(42)41-28-39-29(26-43(41)51)21-24-47-50(39)38-16-8-10-18-46(38)53-47)48-34-12-3-5-14-36(34)49(37-15-6-4-13-35(37)48)31-19-22-33-32-11-7-9-17-44(32)52-45(33)27-31/h5*3-28H,1-2H3
InChIKeyBVLZCHHTCHYVHC-UHFFFAOYSA-N
MW3464.41 g/mol
LogP75.27
Rot. Bonds10

About 2-[10-(23,23-dimethyl-9-thiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaen-19-yl)anthracen-9-yl]dibenzofuran;3-[10-(16,16-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaen-20-yl)anthracen-9-yl]dibenzofuran;3-[10-(16,16-dimethyl-9-thiahexacyclo[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-undecaen-20-yl)anthracen-9-yl]dibenzofuran;3-[10-(22,22-dimethyl-10-thiahexacyclo[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-undecaen-18-yl)anthracen-9-yl]dibenzofuran;3-[10-(23,23-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaen-19-yl)anthracen-9-yl]dibenzofuran

2-[10-(23,23-dimethyl-9-thiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaen-19-yl)anthracen-9-yl]dibenzofuran;3-[10-(16,16-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaen-20-yl)anthracen-9-yl]dibenzofuran;3-[10-(16,16-dimethyl-9-thiahexacyclo[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-undecaen-20-yl)anthracen-9-yl]dibenzofuran;3-[10-(22,22-dimethyl-10-thiahexacyclo[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-undecaen-18-yl)anthracen-9-yl]dibenzofuran;3-[10-(23,23-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaen-19-yl)anthracen-9-yl]dibenzofuran (PubChem CID 163469599) has the molecular formula C255H160O5S5 and a molecular weight of 3464.41 g/mol. Its IUPAC name is 2-[10-(23,23-dimethyl-9-thiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaen-19-yl)anthracen-9-yl]dibenzofuran;3-[10-(16,16-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaen-20-yl)anthracen-9-yl]dibenzofuran;3-[10-(16,16-dimethyl-9-thiahexacyclo[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-undecaen-20-yl)anthracen-9-yl]dibenzofuran;3-[10-(22,22-dimethyl-10-thiahexacyclo[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-undecaen-18-yl)anthracen-9-yl]dibenzofuran;3-[10-(23,23-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaen-19-yl)anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name2-[10-(23,23-dimethyl-9-thiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaen-19-yl)anthracen-9-yl]dibenzofuran;3-[10-(16,16-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaen-20-yl)anthracen-9-yl]dibenzofuran;3-[10-(16,16-dimethyl-9-thiahexacyclo[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-undecaen-20-yl)anthracen-9-yl]dibenzofuran;3-[10-(22,22-dimethyl-10-thiahexacyclo[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-undecaen-18-yl)anthracen-9-yl]dibenzofuran;3-[10-(23,23-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaen-19-yl)anthracen-9-yl]dibenzofuran
PubChem CID163469599
Molecular FormulaC255H160O5S5
Molecular Weight3464.41 g/mol
Exact Mass3461.09
IUPAC Name2-[10-(23,23-dimethyl-9-thiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaen-19-yl)anthracen-9-yl]dibenzofuran;3-[10-(16,16-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaen-20-yl)anthracen-9-yl]dibenzofuran;3-[10-(16,16-dimethyl-9-thiahexacyclo[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-undecaen-20-yl)anthracen-9-yl]dibenzofuran;3-[10-(22,22-dimethyl-10-thiahexacyclo[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-undecaen-18-yl)anthracen-9-yl]dibenzofuran;3-[10-(23,23-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaen-19-yl)anthracen-9-yl]dibenzofuran
SMILESCC1(C)c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccccc45)c4ccccc34)cc2-c2cc3c(ccc4c5ccccc5sc34)cc21.CC1(C)c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccccc45)c4ccccc34)cc2-c2cc3c(ccc4sc5ccccc5c43)cc21.CC1(C)c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccccc45)c4ccccc34)cc2-c2cc3cc4sc5ccccc5c4cc3cc21.CC1(C)c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccccc45)c4ccccc34)cc2-c2ccc3ccc4c5ccccc5sc4c3c21.CC1(C)c2ccc(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)cc2-c2ccc3ccc4sc5ccccc5c4c3c21
InChIInChI=1S/5C51H32OS/c1-51(2)42-26-22-30(27-41(42)39-24-19-29-20-25-40-34-12-8-10-18-45(34)53-50(40)48(29)49(39)51)46-35-13-3-5-15-37(35)47(38-16-6-4-14-36(38)46)31-21-23-33-32-11-7-9-17-43(32)52-44(33)28-31;1-51(2)43-24-21-30(25-41(43)42-28-40-29(26-44(42)51)19-23-39-34-12-8-10-18-47(34)53-50(39)40)48-35-13-3-5-15-37(35)49(38-16-6-4-14-36(38)48)31-20-22-33-32-11-7-9-17-45(32)52-46(33)27-31;1-51(2)43-22-20-29(23-40(43)41-24-32-28-48-42(25-31(32)26-44(41)51)35-12-8-10-18-47(35)53-48)49-36-13-3-5-15-38(36)50(39-16-6-4-14-37(39)49)30-19-21-34-33-11-7-9-17-45(33)52-46(34)27-30;1-51(2)41-24-20-30(27-39(41)37-23-19-29-22-26-45-49(48(29)50(37)51)38-16-8-10-18-44(38)53-45)46-33-12-3-5-14-35(33)47(36-15-6-4-13-34(36)46)31-21-25-43-40(28-31)32-11-7-9-17-42(32)52-43;1-51(2)42-23-20-30(25-40(42)41-28-39-29(26-43(41)51)21-24-47-50(39)38-16-8-10-18-46(38)53-47)48-34-12-3-5-14-36(34)49(37-15-6-4-13-35(37)48)31-19-22-33-32-11-7-9-17-44(32)52-45(33)27-31/h5*3-28H,1-2H3
InChIKeyBVLZCHHTCHYVHC-UHFFFAOYSA-N
XLogP75.27
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms265
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003464.41
LogP ≤ 575.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-[10-(23,23-dimethyl-9-thiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaen-19-yl)anthracen-9-yl]dibenzofuran;3-[10-(16,16-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaen-20-yl)anthracen-9-yl]dibenzofuran;3-[10-(16,16-dimethyl-9-thiahexacyclo[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-undecaen-20-yl)anthracen-9-yl]dibenzofuran;3-[10-(22,22-dimethyl-10-thiahexacyclo[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-undecaen-18-yl)anthracen-9-yl]dibenzofuran;3-[10-(23,23-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaen-19-yl)anthracen-9-yl]dibenzofuran with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[10-(23,23-dimethyl-9-thiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaen-19-yl)anthracen-9-yl]dibenzofuran;3-[10-(16,16-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaen-20-yl)anthracen-9-yl]dibenzofuran;3-[10-(16,16-dimethyl-9-thiahexacyclo[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-undecaen-20-yl)anthracen-9-yl]dibenzofuran;3-[10-(22,22-dimethyl-10-thiahexacyclo[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-undecaen-18-yl)anthracen-9-yl]dibenzofuran;3-[10-(23,23-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaen-19-yl)anthracen-9-yl]dibenzofuran?
The IUPAC name of 2-[10-(23,23-dimethyl-9-thiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaen-19-yl)anthracen-9-yl]dibenzofuran;3-[10-(16,16-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaen-20-yl)anthracen-9-yl]dibenzofuran;3-[10-(16,16-dimethyl-9-thiahexacyclo[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-undecaen-20-yl)anthracen-9-yl]dibenzofuran;3-[10-(22,22-dimethyl-10-thiahexacyclo[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-undecaen-18-yl)anthracen-9-yl]dibenzofuran;3-[10-(23,23-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaen-19-yl)anthracen-9-yl]dibenzofuran (CID 163469599) is 2-[10-(23,23-dimethyl-9-thiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaen-19-yl)anthracen-9-yl]dibenzofuran;3-[10-(16,16-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaen-20-yl)anthracen-9-yl]dibenzofuran;3-[10-(16,16-dimethyl-9-thiahexacyclo[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-undecaen-20-yl)anthracen-9-yl]dibenzofuran;3-[10-(22,22-dimethyl-10-thiahexacyclo[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-undecaen-18-yl)anthracen-9-yl]dibenzofuran;3-[10-(23,23-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaen-19-yl)anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 2-[10-(23,23-dimethyl-9-thiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaen-19-yl)anthracen-9-yl]dibenzofuran;3-[10-(16,16-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaen-20-yl)anthracen-9-yl]dibenzofuran;3-[10-(16,16-dimethyl-9-thiahexacyclo[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-undecaen-20-yl)anthracen-9-yl]dibenzofuran;3-[10-(22,22-dimethyl-10-thiahexacyclo[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-undecaen-18-yl)anthracen-9-yl]dibenzofuran;3-[10-(23,23-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaen-19-yl)anthracen-9-yl]dibenzofuran?
The canonical SMILES for 2-[10-(23,23-dimethyl-9-thiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaen-19-yl)anthracen-9-yl]dibenzofuran;3-[10-(16,16-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaen-20-yl)anthracen-9-yl]dibenzofuran;3-[10-(16,16-dimethyl-9-thiahexacyclo[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-undecaen-20-yl)anthracen-9-yl]dibenzofuran;3-[10-(22,22-dimethyl-10-thiahexacyclo[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-undecaen-18-yl)anthracen-9-yl]dibenzofuran;3-[10-(23,23-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaen-19-yl)anthracen-9-yl]dibenzofuran is CC1(C)c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccccc45)c4ccccc34)cc2-c2cc3c(ccc4c5ccccc5sc34)cc21.CC1(C)c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccccc45)c4ccccc34)cc2-c2cc3c(ccc4sc5ccccc5c43)cc21.CC1(C)c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccccc45)c4ccccc34)cc2-c2cc3cc4sc5ccccc5c4cc3cc21.CC1(C)c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccccc45)c4ccccc34)cc2-c2ccc3ccc4c5ccccc5sc4c3c21.CC1(C)c2ccc(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)cc2-c2ccc3ccc4sc5ccccc5c4c3c21.
What is the InChIKey of 2-[10-(23,23-dimethyl-9-thiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaen-19-yl)anthracen-9-yl]dibenzofuran;3-[10-(16,16-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaen-20-yl)anthracen-9-yl]dibenzofuran;3-[10-(16,16-dimethyl-9-thiahexacyclo[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-undecaen-20-yl)anthracen-9-yl]dibenzofuran;3-[10-(22,22-dimethyl-10-thiahexacyclo[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-undecaen-18-yl)anthracen-9-yl]dibenzofuran;3-[10-(23,23-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaen-19-yl)anthracen-9-yl]dibenzofuran?
The InChIKey is BVLZCHHTCHYVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/5C51H32OS/c1-51(2)42-26-22-30(27-41(42)39-24-19-29-20-25-40-34-12-8-10-18-45(34)53-50(40)48(29)49(39)51)46-35-13-3-5-15-37(35)47(38-16-6-4-14-36(38)46)31-21-23-33-32-11-7-9-17-43(32)52-44(33)28-31;1-51(2)43-24-21-30(25-41(43)42-28-40-29(26-44(42)51)19-23-39-34-12-8-10-18-47(34)53-50(39)40)48-35-13-3-5-15-37(35)49(38-16-6-4-14-36(38)48)31-20-22-33-32-11-7-9-17-45(32)52-46(33)27-31;1-51(2)43-22-20-29(23-40(43)41-24-32-28-48-42(25-31(32)26-44(41)51)35-12-8-10-18-47(35)53-48)49-36-13-3-5-15-38(36)50(39-16-6-4-14-37(39)49)30-19-21-34-33-11-7-9-17-45(33)52-46(34)27-30;1-51(2)41-24-20-30(27-39(41)37-23-19-29-22-26-45-49(48(29)50(37)51)38-16-8-10-18-44(38)53-45)46-33-12-3-5-14-35(33)47(36-15-6-4-13-34(36)46)31-21-25-43-40(28-31)32-11-7-9-17-42(32)52-43;1-51(2)42-23-20-30(25-40(42)41-28-39-29(26-43(41)51)21-24-47-50(39)38-16-8-10-18-46(38)53-47)48-34-12-3-5-14-36(34)49(37-15-6-4-13-35(37)48)31-19-22-33-32-11-7-9-17-44(32)52-45(33)27-31/h5*3-28H,1-2H3.
What are the key properties of 2-[10-(23,23-dimethyl-9-thiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaen-19-yl)anthracen-9-yl]dibenzofuran;3-[10-(16,16-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaen-20-yl)anthracen-9-yl]dibenzofuran;3-[10-(16,16-dimethyl-9-thiahexacyclo[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-undecaen-20-yl)anthracen-9-yl]dibenzofuran;3-[10-(22,22-dimethyl-10-thiahexacyclo[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-undecaen-18-yl)anthracen-9-yl]dibenzofuran;3-[10-(23,23-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaen-19-yl)anthracen-9-yl]dibenzofuran?
2-[10-(23,23-dimethyl-9-thiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaen-19-yl)anthracen-9-yl]dibenzofuran;3-[10-(16,16-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaen-20-yl)anthracen-9-yl]dibenzofuran;3-[10-(16,16-dimethyl-9-thiahexacyclo[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-undecaen-20-yl)anthracen-9-yl]dibenzofuran;3-[10-(22,22-dimethyl-10-thiahexacyclo[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-undecaen-18-yl)anthracen-9-yl]dibenzofuran;3-[10-(23,23-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaen-19-yl)anthracen-9-yl]dibenzofuran has a molecular weight of 3464.41 g/mol, XLogP of 75.27, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(23,23-dimethyl-9-thiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaen-19-yl)anthracen-9-yl]dibenzofuran;3-[10-(16,16-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaen-20-yl)anthracen-9-yl]dibenzofuran;3-[10-(16,16-dimethyl-9-thiahexacyclo[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-undecaen-20-yl)anthracen-9-yl]dibenzofuran;3-[10-(22,22-dimethyl-10-thiahexacyclo[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-undecaen-18-yl)anthracen-9-yl]dibenzofuran;3-[10-(23,23-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaen-19-yl)anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 163469599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).