20-(10-phenylanthracen-9-yl)-3,16-dioxa-4λ4-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17(22),18,20-undecaene;18-(10-phenylanthracen-9-yl)-22-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),18,20-decaene;11-(10-phenylanthracen-9-yl)-15-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1,3,5,7,10,12,14(22),16,18,20,23-undecaene;18-(10-phenylanthracen-9-yl)-22-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene;20-(10-phenylanthracen-9-yl)-10-oxa-16-thiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17(22),18,20,23-undecaene;20-(10-phenylanthracen-9-yl)-16-oxa-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-undecaene;6-(10-phenyl-2,3-dihydroanthracen-9-yl)-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene

C293H172O8S7 — CID 163891652

IUPAC20-(10-phenylanthracen-9-yl)-3,16-dioxa-4λ4-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17(22),18,20-undecaene;18-(10-phenylanthracen-9-yl)-22-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),18,20-decaene;11-(10-phenylanthracen-9-yl)-15-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1,3,5,7,10,12,14(22),16,18,20,23-undecaene;18-(10-phenylanthracen-9-yl)-22-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene;20-(10-phenylanthracen-9-yl)-10-oxa-16-thiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17(22),18,20,23-undecaene;20-(10-phenylanthracen-9-yl)-16-oxa-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-undecaene;6-(10-phenyl-2,3-dihydroanthracen-9-yl)-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene
SMILESC1=C(c2c3ccccc3c(-c3ccccc3)c3ccccc23)CC2C(=C1)Oc1cc3c(ccc4sc5ccccc5c43)cc12.C1=CC2=S(C=C1)Oc1c2ccc2cc3oc4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4c3cc12.C1=c2c(-c3ccccc3)c3ccccc3c(-c3ccc4oc5cc6cc7c(cc6cc5c4c3)sc3ccccc37)c2=CCC1.c1ccc(-c2c3ccccc3c(-c3cc4c(ccc5c6ccccc6oc54)c4c3sc3ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4oc5cc6c(ccc7c8ccccc8sc67)cc5c4c3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4oc5cc6ccc7sc8ccccc8c7c6cc5c4c3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4sc5cc6cc7oc8ccccc8c7cc6cc5c4c3)c3ccccc23)cc1
InChIInChI=1S/2C42H24OS.C42H26OS.2C42H24OS.C42H26OS.C41H24O2S/c1-2-12-25(13-3-1)38-27-15-4-6-17-29(27)39(30-18-7-5-16-28(30)38)35-24-34-31(40-33-19-9-11-21-37(33)44-42(35)40)22-23-32-26-14-8-10-20-36(26)43-41(32)34;1-2-10-25(11-3-1)40-29-13-4-6-15-31(29)41(32-16-7-5-14-30(32)40)27-19-21-37-35(23-27)36-22-26-18-20-33-28-12-8-9-17-39(28)44-42(33)34(26)24-38(36)43-37;1-2-10-25(11-3-1)41-30-13-4-6-15-32(30)42(33-16-7-5-14-31(33)41)26-18-19-37-34(20-26)35-21-28-24-40-36(22-27(28)23-38(35)43-37)29-12-8-9-17-39(29)44-40;1-2-10-25(11-3-1)41-30-13-4-6-15-32(30)42(33-16-7-5-14-31(33)41)26-18-19-39-35(20-26)36-22-27-21-34-29-12-8-9-17-37(29)43-38(34)23-28(27)24-40(36)44-39;1-2-10-25(11-3-1)40-28-12-4-6-14-30(28)41(31-15-7-5-13-29(31)40)27-18-20-36-34(22-27)35-24-33-26(23-37(35)43-36)19-21-39-42(33)32-16-8-9-17-38(32)44-39;1-2-10-25(11-3-1)40-28-12-4-6-14-30(28)41(31-15-7-5-13-29(31)40)27-18-20-36-34(23-27)35-22-26-19-21-39-42(33(26)24-37(35)43-36)32-16-8-9-17-38(32)44-39;1-2-10-25(11-3-1)39-28-12-4-6-14-30(28)40(31-15-7-5-13-29(31)39)27-18-20-36-34(22-27)35-24-33-26(23-37(35)42-36)17-19-32-38-16-8-9-21-44(38)43-41(32)33/h2*1-24H;1-4,6,8-24H,5,7H2;2*1-24H;1-22,24,34H,23H2;1-24H
InChIKeyQCARJTWUXIZBTE-UHFFFAOYSA-N
MW4045.06 g/mol
LogP85.53
Rot. Bonds14

About 20-(10-phenylanthracen-9-yl)-3,16-dioxa-4λ4-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17(22),18,20-undecaene;18-(10-phenylanthracen-9-yl)-22-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),18,20-decaene;11-(10-phenylanthracen-9-yl)-15-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1,3,5,7,10,12,14(22),16,18,20,23-undecaene;18-(10-phenylanthracen-9-yl)-22-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene;20-(10-phenylanthracen-9-yl)-10-oxa-16-thiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17(22),18,20,23-undecaene;20-(10-phenylanthracen-9-yl)-16-oxa-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-undecaene;6-(10-phenyl-2,3-dihydroanthracen-9-yl)-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene

20-(10-phenylanthracen-9-yl)-3,16-dioxa-4λ4-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17(22),18,20-undecaene;18-(10-phenylanthracen-9-yl)-22-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),18,20-decaene;11-(10-phenylanthracen-9-yl)-15-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1,3,5,7,10,12,14(22),16,18,20,23-undecaene;18-(10-phenylanthracen-9-yl)-22-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene;20-(10-phenylanthracen-9-yl)-10-oxa-16-thiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17(22),18,20,23-undecaene;20-(10-phenylanthracen-9-yl)-16-oxa-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-undecaene;6-(10-phenyl-2,3-dihydroanthracen-9-yl)-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene (PubChem CID 163891652) has the molecular formula C293H172O8S7 and a molecular weight of 4045.06 g/mol. Its IUPAC name is 20-(10-phenylanthracen-9-yl)-3,16-dioxa-4λ4-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17(22),18,20-undecaene;18-(10-phenylanthracen-9-yl)-22-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),18,20-decaene;11-(10-phenylanthracen-9-yl)-15-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1,3,5,7,10,12,14(22),16,18,20,23-undecaene;18-(10-phenylanthracen-9-yl)-22-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene;20-(10-phenylanthracen-9-yl)-10-oxa-16-thiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17(22),18,20,23-undecaene;20-(10-phenylanthracen-9-yl)-16-oxa-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-undecaene;6-(10-phenyl-2,3-dihydroanthracen-9-yl)-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene.

Molecular Properties

Compound Name20-(10-phenylanthracen-9-yl)-3,16-dioxa-4λ4-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17(22),18,20-undecaene;18-(10-phenylanthracen-9-yl)-22-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),18,20-decaene;11-(10-phenylanthracen-9-yl)-15-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1,3,5,7,10,12,14(22),16,18,20,23-undecaene;18-(10-phenylanthracen-9-yl)-22-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene;20-(10-phenylanthracen-9-yl)-10-oxa-16-thiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17(22),18,20,23-undecaene;20-(10-phenylanthracen-9-yl)-16-oxa-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-undecaene;6-(10-phenyl-2,3-dihydroanthracen-9-yl)-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene
PubChem CID163891652
Molecular FormulaC293H172O8S7
Molecular Weight4045.06 g/mol
Exact Mass4041.11
IUPAC Name20-(10-phenylanthracen-9-yl)-3,16-dioxa-4λ4-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17(22),18,20-undecaene;18-(10-phenylanthracen-9-yl)-22-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),18,20-decaene;11-(10-phenylanthracen-9-yl)-15-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1,3,5,7,10,12,14(22),16,18,20,23-undecaene;18-(10-phenylanthracen-9-yl)-22-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene;20-(10-phenylanthracen-9-yl)-10-oxa-16-thiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17(22),18,20,23-undecaene;20-(10-phenylanthracen-9-yl)-16-oxa-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-undecaene;6-(10-phenyl-2,3-dihydroanthracen-9-yl)-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene
SMILESC1=C(c2c3ccccc3c(-c3ccccc3)c3ccccc23)CC2C(=C1)Oc1cc3c(ccc4sc5ccccc5c43)cc12.C1=CC2=S(C=C1)Oc1c2ccc2cc3oc4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4c3cc12.C1=c2c(-c3ccccc3)c3ccccc3c(-c3ccc4oc5cc6cc7c(cc6cc5c4c3)sc3ccccc37)c2=CCC1.c1ccc(-c2c3ccccc3c(-c3cc4c(ccc5c6ccccc6oc54)c4c3sc3ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4oc5cc6c(ccc7c8ccccc8sc67)cc5c4c3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4oc5cc6ccc7sc8ccccc8c7c6cc5c4c3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4sc5cc6cc7oc8ccccc8c7cc6cc5c4c3)c3ccccc23)cc1
InChIInChI=1S/2C42H24OS.C42H26OS.2C42H24OS.C42H26OS.C41H24O2S/c1-2-12-25(13-3-1)38-27-15-4-6-17-29(27)39(30-18-7-5-16-28(30)38)35-24-34-31(40-33-19-9-11-21-37(33)44-42(35)40)22-23-32-26-14-8-10-20-36(26)43-41(32)34;1-2-10-25(11-3-1)40-29-13-4-6-15-31(29)41(32-16-7-5-14-30(32)40)27-19-21-37-35(23-27)36-22-26-18-20-33-28-12-8-9-17-39(28)44-42(33)34(26)24-38(36)43-37;1-2-10-25(11-3-1)41-30-13-4-6-15-32(30)42(33-16-7-5-14-31(33)41)26-18-19-37-34(20-26)35-21-28-24-40-36(22-27(28)23-38(35)43-37)29-12-8-9-17-39(29)44-40;1-2-10-25(11-3-1)41-30-13-4-6-15-32(30)42(33-16-7-5-14-31(33)41)26-18-19-39-35(20-26)36-22-27-21-34-29-12-8-9-17-37(29)43-38(34)23-28(27)24-40(36)44-39;1-2-10-25(11-3-1)40-28-12-4-6-14-30(28)41(31-15-7-5-13-29(31)40)27-18-20-36-34(22-27)35-24-33-26(23-37(35)43-36)19-21-39-42(33)32-16-8-9-17-38(32)44-39;1-2-10-25(11-3-1)40-28-12-4-6-14-30(28)41(31-15-7-5-13-29(31)40)27-18-20-36-34(23-27)35-22-26-19-21-39-42(33(26)24-37(35)43-36)32-16-8-9-17-38(32)44-39;1-2-10-25(11-3-1)39-28-12-4-6-14-30(28)40(31-15-7-5-13-29(31)39)27-18-20-36-34(22-27)35-24-33-26(23-37(35)42-36)17-19-32-38-16-8-9-21-44(38)43-41(32)33/h2*1-24H;1-4,6,8-24H,5,7H2;2*1-24H;1-22,24,34H,23H2;1-24H
InChIKeyQCARJTWUXIZBTE-UHFFFAOYSA-N
XLogP85.53
TPSA97.30 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms308
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004045.06
LogP ≤ 585.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 20-(10-phenylanthracen-9-yl)-3,16-dioxa-4λ4-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17(22),18,20-undecaene;18-(10-phenylanthracen-9-yl)-22-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),18,20-decaene;11-(10-phenylanthracen-9-yl)-15-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1,3,5,7,10,12,14(22),16,18,20,23-undecaene;18-(10-phenylanthracen-9-yl)-22-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene;20-(10-phenylanthracen-9-yl)-10-oxa-16-thiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17(22),18,20,23-undecaene;20-(10-phenylanthracen-9-yl)-16-oxa-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-undecaene;6-(10-phenyl-2,3-dihydroanthracen-9-yl)-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

20-[10-(6-cyclohexa-1,3-dien-1-yl-1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]-16-oxa-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-undecaene;6-[10-(6-cyclohexa-1,3-dien-1-yl-1,7,8,8a-tetrahydronaphthalen-2-yl)anthracen-9-yl]-10-oxa-16-thiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,6,8,11,13,15(23),17,19,21-decaene;18-[10-(6-phenyl-7,8-dihydronaphthalen-2-yl)anthracen-9-yl]-22-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene;6-[10-(6-phenylnaphthalen-2-yl)-2,3-dihydroanthracen-9-yl]-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene
CID 163472423
20-(10-phenylanthracen-9-yl)-3,16-dioxa-4λ4-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17(22),18,20-undecaene
CID 140797629
19-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)-8,8a-dihydrofluoren-2-yl]-3-oxa-23-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-undecaene;7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-3-oxa-16-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-22-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;19-[9,9-dimethyl-6-(10-phenylanthracen-9-yl)fluoren-2-yl]-23-oxa-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-undecaene;20-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-3-oxa-16-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-undecaene
CID 163521459
7-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]-22-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene
CID 130212616
3-[10-(3,16-dithiahexacyclo[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
CID 163733044
6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12-oxa-22-thiahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-16-oxa-12-thiahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-15-oxa-12-thiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;16-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-3-oxa-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene;16-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-9-oxa-14-thiahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene
CID 159939335
19-[10-[5-[3-[7-[10-(5-phenylcyclohexa-1,3-dien-1-yl)anthracen-9-yl]-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,11,13,15(23),17(22),18,20-decaen-19-yl]phenyl]cyclohexa-1,3-dien-1-yl]anthracen-9-yl]-9,15-dioxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene
CID 167022277
6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10-oxa-16-thiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaene;18-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16(21),17,19-undecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-3-oxa-16-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-undecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9-oxa-16-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-undecaene
CID 163607893
20-[3-(10-naphthalen-1-yl-2,3-dihydroanthracen-9-yl)phenyl]-16-oxa-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-undecaene
CID 130212799
7-(10-dibenzothiophen-2-ylanthracen-9-yl)-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;7-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,22-dioxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;7-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,23-dioxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene;19-(10-dibenzothiophen-2-ylanthracen-9-yl)-9,23-dioxahexacyclo[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-undecaene;20-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,16-dioxahexacyclo[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-undecaene
CID 163515214
2-[10-(9,22-dithiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaen-18-yl)anthracen-9-yl]dibenzofuran
CID 163780356
19-(10-phenylanthracen-9-yl)-15-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene
CID 155312879

Frequently Asked Questions

What is the IUPAC name of 20-(10-phenylanthracen-9-yl)-3,16-dioxa-4λ4-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17(22),18,20-undecaene;18-(10-phenylanthracen-9-yl)-22-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),18,20-decaene;11-(10-phenylanthracen-9-yl)-15-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1,3,5,7,10,12,14(22),16,18,20,23-undecaene;18-(10-phenylanthracen-9-yl)-22-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene;20-(10-phenylanthracen-9-yl)-10-oxa-16-thiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17(22),18,20,23-undecaene;20-(10-phenylanthracen-9-yl)-16-oxa-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-undecaene;6-(10-phenyl-2,3-dihydroanthracen-9-yl)-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene?
The IUPAC name of 20-(10-phenylanthracen-9-yl)-3,16-dioxa-4λ4-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17(22),18,20-undecaene;18-(10-phenylanthracen-9-yl)-22-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),18,20-decaene;11-(10-phenylanthracen-9-yl)-15-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1,3,5,7,10,12,14(22),16,18,20,23-undecaene;18-(10-phenylanthracen-9-yl)-22-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene;20-(10-phenylanthracen-9-yl)-10-oxa-16-thiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17(22),18,20,23-undecaene;20-(10-phenylanthracen-9-yl)-16-oxa-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-undecaene;6-(10-phenyl-2,3-dihydroanthracen-9-yl)-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene (CID 163891652) is 20-(10-phenylanthracen-9-yl)-3,16-dioxa-4λ4-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17(22),18,20-undecaene;18-(10-phenylanthracen-9-yl)-22-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),18,20-decaene;11-(10-phenylanthracen-9-yl)-15-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1,3,5,7,10,12,14(22),16,18,20,23-undecaene;18-(10-phenylanthracen-9-yl)-22-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene;20-(10-phenylanthracen-9-yl)-10-oxa-16-thiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17(22),18,20,23-undecaene;20-(10-phenylanthracen-9-yl)-16-oxa-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-undecaene;6-(10-phenyl-2,3-dihydroanthracen-9-yl)-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene.
What is the SMILES notation for 20-(10-phenylanthracen-9-yl)-3,16-dioxa-4λ4-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17(22),18,20-undecaene;18-(10-phenylanthracen-9-yl)-22-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),18,20-decaene;11-(10-phenylanthracen-9-yl)-15-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1,3,5,7,10,12,14(22),16,18,20,23-undecaene;18-(10-phenylanthracen-9-yl)-22-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene;20-(10-phenylanthracen-9-yl)-10-oxa-16-thiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17(22),18,20,23-undecaene;20-(10-phenylanthracen-9-yl)-16-oxa-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-undecaene;6-(10-phenyl-2,3-dihydroanthracen-9-yl)-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene?
The canonical SMILES for 20-(10-phenylanthracen-9-yl)-3,16-dioxa-4λ4-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17(22),18,20-undecaene;18-(10-phenylanthracen-9-yl)-22-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),18,20-decaene;11-(10-phenylanthracen-9-yl)-15-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1,3,5,7,10,12,14(22),16,18,20,23-undecaene;18-(10-phenylanthracen-9-yl)-22-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene;20-(10-phenylanthracen-9-yl)-10-oxa-16-thiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17(22),18,20,23-undecaene;20-(10-phenylanthracen-9-yl)-16-oxa-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-undecaene;6-(10-phenyl-2,3-dihydroanthracen-9-yl)-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene is C1=C(c2c3ccccc3c(-c3ccccc3)c3ccccc23)CC2C(=C1)Oc1cc3c(ccc4sc5ccccc5c43)cc12.C1=CC2=S(C=C1)Oc1c2ccc2cc3oc4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4c3cc12.C1=c2c(-c3ccccc3)c3ccccc3c(-c3ccc4oc5cc6cc7c(cc6cc5c4c3)sc3ccccc37)c2=CCC1.c1ccc(-c2c3ccccc3c(-c3cc4c(ccc5c6ccccc6oc54)c4c3sc3ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4oc5cc6c(ccc7c8ccccc8sc67)cc5c4c3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4oc5cc6ccc7sc8ccccc8c7c6cc5c4c3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4sc5cc6cc7oc8ccccc8c7cc6cc5c4c3)c3ccccc23)cc1.
What is the InChIKey of 20-(10-phenylanthracen-9-yl)-3,16-dioxa-4λ4-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17(22),18,20-undecaene;18-(10-phenylanthracen-9-yl)-22-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),18,20-decaene;11-(10-phenylanthracen-9-yl)-15-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1,3,5,7,10,12,14(22),16,18,20,23-undecaene;18-(10-phenylanthracen-9-yl)-22-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene;20-(10-phenylanthracen-9-yl)-10-oxa-16-thiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17(22),18,20,23-undecaene;20-(10-phenylanthracen-9-yl)-16-oxa-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-undecaene;6-(10-phenyl-2,3-dihydroanthracen-9-yl)-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene?
The InChIKey is QCARJTWUXIZBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C42H24OS.C42H26OS.2C42H24OS.C42H26OS.C41H24O2S/c1-2-12-25(13-3-1)38-27-15-4-6-17-29(27)39(30-18-7-5-16-28(30)38)35-24-34-31(40-33-19-9-11-21-37(33)44-42(35)40)22-23-32-26-14-8-10-20-36(26)43-41(32)34;1-2-10-25(11-3-1)40-29-13-4-6-15-31(29)41(32-16-7-5-14-30(32)40)27-19-21-37-35(23-27)36-22-26-18-20-33-28-12-8-9-17-39(28)44-42(33)34(26)24-38(36)43-37;1-2-10-25(11-3-1)41-30-13-4-6-15-32(30)42(33-16-7-5-14-31(33)41)26-18-19-37-34(20-26)35-21-28-24-40-36(22-27(28)23-38(35)43-37)29-12-8-9-17-39(29)44-40;1-2-10-25(11-3-1)41-30-13-4-6-15-32(30)42(33-16-7-5-14-31(33)41)26-18-19-39-35(20-26)36-22-27-21-34-29-12-8-9-17-37(29)43-38(34)23-28(27)24-40(36)44-39;1-2-10-25(11-3-1)40-28-12-4-6-14-30(28)41(31-15-7-5-13-29(31)40)27-18-20-36-34(22-27)35-24-33-26(23-37(35)43-36)19-21-39-42(33)32-16-8-9-17-38(32)44-39;1-2-10-25(11-3-1)40-28-12-4-6-14-30(28)41(31-15-7-5-13-29(31)40)27-18-20-36-34(23-27)35-22-26-19-21-39-42(33(26)24-37(35)43-36)32-16-8-9-17-38(32)44-39;1-2-10-25(11-3-1)39-28-12-4-6-14-30(28)40(31-15-7-5-13-29(31)39)27-18-20-36-34(22-27)35-24-33-26(23-37(35)42-36)17-19-32-38-16-8-9-21-44(38)43-41(32)33/h2*1-24H;1-4,6,8-24H,5,7H2;2*1-24H;1-22,24,34H,23H2;1-24H.
What are the key properties of 20-(10-phenylanthracen-9-yl)-3,16-dioxa-4λ4-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17(22),18,20-undecaene;18-(10-phenylanthracen-9-yl)-22-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),18,20-decaene;11-(10-phenylanthracen-9-yl)-15-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1,3,5,7,10,12,14(22),16,18,20,23-undecaene;18-(10-phenylanthracen-9-yl)-22-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene;20-(10-phenylanthracen-9-yl)-10-oxa-16-thiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17(22),18,20,23-undecaene;20-(10-phenylanthracen-9-yl)-16-oxa-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-undecaene;6-(10-phenyl-2,3-dihydroanthracen-9-yl)-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene?
20-(10-phenylanthracen-9-yl)-3,16-dioxa-4λ4-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17(22),18,20-undecaene;18-(10-phenylanthracen-9-yl)-22-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),18,20-decaene;11-(10-phenylanthracen-9-yl)-15-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1,3,5,7,10,12,14(22),16,18,20,23-undecaene;18-(10-phenylanthracen-9-yl)-22-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene;20-(10-phenylanthracen-9-yl)-10-oxa-16-thiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17(22),18,20,23-undecaene;20-(10-phenylanthracen-9-yl)-16-oxa-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-undecaene;6-(10-phenyl-2,3-dihydroanthracen-9-yl)-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene has a molecular weight of 4045.06 g/mol, XLogP of 85.53, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 20-(10-phenylanthracen-9-yl)-3,16-dioxa-4λ4-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17(22),18,20-undecaene;18-(10-phenylanthracen-9-yl)-22-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),18,20-decaene;11-(10-phenylanthracen-9-yl)-15-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1,3,5,7,10,12,14(22),16,18,20,23-undecaene;18-(10-phenylanthracen-9-yl)-22-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene;20-(10-phenylanthracen-9-yl)-10-oxa-16-thiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17(22),18,20,23-undecaene;20-(10-phenylanthracen-9-yl)-16-oxa-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-undecaene;6-(10-phenyl-2,3-dihydroanthracen-9-yl)-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene is sourced from PubChem (CID 163891652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).