5-(10-phenylanthracen-9-yl)-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;5-(10-phenylanthracen-9-yl)-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;7-(10-phenylanthracen-9-yl)-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene;7-(10-phenylanthracen-9-yl)-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14,16,18,20,22-undecaene;18-(10-phenylanthracen-9-yl)-12,22-dioxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene;20-(10-phenylanthracen-9-yl)-12,16-dioxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene

C252H144O12 — CID 162145798

IUPAC5-(10-phenylanthracen-9-yl)-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;5-(10-phenylanthracen-9-yl)-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;7-(10-phenylanthracen-9-yl)-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene;7-(10-phenylanthracen-9-yl)-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14,16,18,20,22-undecaene;18-(10-phenylanthracen-9-yl)-12,22-dioxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene;20-(10-phenylanthracen-9-yl)-12,16-dioxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4oc5c(ccc6c7cc8ccccc8cc7oc65)c4c3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4oc5c(ccc6oc7c8ccccc8ccc7c65)c4c3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4oc5cc6c(cc5c4c3)oc3ccc4ccccc4c36)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4oc5cc6oc7ccc8ccccc8c7c6cc5c4c3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4oc5ccc6c(oc7ccc8ccccc8c76)c5c4c3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4oc5ccc6oc7c8ccccc8ccc7c6c5c4c3)c3ccccc23)cc1
InChIInChI=1S/6C42H24O2/c1-2-11-26(12-3-1)38-29-14-6-8-16-31(29)39(32-17-9-7-15-30(32)38)27-19-21-35-34(24-27)41-37(43-35)23-20-33-40-28-13-5-4-10-25(28)18-22-36(40)44-42(33)41;1-2-11-26(12-3-1)40-29-14-6-8-16-31(29)41(32-17-9-7-15-30(32)40)27-19-20-36-33(22-27)34-23-39-35(24-38(34)43-36)42-28-13-5-4-10-25(28)18-21-37(42)44-39;1-2-11-26(12-3-1)40-29-14-6-8-16-31(29)41(32-17-9-7-15-30(32)40)27-19-20-36-33(22-27)34-23-35-39(24-38(34)43-36)44-37-21-18-25-10-4-5-13-28(25)42(35)37;1-2-11-26(12-3-1)38-29-14-6-8-16-31(29)39(32-17-9-7-15-30(32)38)27-19-22-36-35(24-27)33-21-23-37-40(42(33)43-36)34-20-18-25-10-4-5-13-28(25)41(34)44-37;1-2-11-26(12-3-1)38-29-14-6-8-16-31(29)39(32-17-9-7-15-30(32)38)27-19-21-35-34(24-27)41-36(43-35)22-23-37-40(41)33-20-18-25-10-4-5-13-28(25)42(33)44-37;1-2-10-25(11-3-1)39-29-14-6-8-16-31(29)40(32-17-9-7-15-30(32)39)28-18-21-37-35(23-28)33-19-20-34-36-22-26-12-4-5-13-27(26)24-38(36)44-42(34)41(33)43-37/h6*1-24H
InChIKeyZKNOUWRAEVUIMB-UHFFFAOYSA-N
MW3363.91 g/mol
LogP73.67
Rot. Bonds12

About 5-(10-phenylanthracen-9-yl)-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;5-(10-phenylanthracen-9-yl)-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;7-(10-phenylanthracen-9-yl)-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene;7-(10-phenylanthracen-9-yl)-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14,16,18,20,22-undecaene;18-(10-phenylanthracen-9-yl)-12,22-dioxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene;20-(10-phenylanthracen-9-yl)-12,16-dioxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene

5-(10-phenylanthracen-9-yl)-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;5-(10-phenylanthracen-9-yl)-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;7-(10-phenylanthracen-9-yl)-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene;7-(10-phenylanthracen-9-yl)-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14,16,18,20,22-undecaene;18-(10-phenylanthracen-9-yl)-12,22-dioxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene;20-(10-phenylanthracen-9-yl)-12,16-dioxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene (PubChem CID 162145798) has the molecular formula C252H144O12 and a molecular weight of 3363.91 g/mol. Its IUPAC name is 5-(10-phenylanthracen-9-yl)-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;5-(10-phenylanthracen-9-yl)-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;7-(10-phenylanthracen-9-yl)-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene;7-(10-phenylanthracen-9-yl)-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14,16,18,20,22-undecaene;18-(10-phenylanthracen-9-yl)-12,22-dioxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene;20-(10-phenylanthracen-9-yl)-12,16-dioxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene.

Molecular Properties

Compound Name5-(10-phenylanthracen-9-yl)-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;5-(10-phenylanthracen-9-yl)-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;7-(10-phenylanthracen-9-yl)-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene;7-(10-phenylanthracen-9-yl)-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14,16,18,20,22-undecaene;18-(10-phenylanthracen-9-yl)-12,22-dioxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene;20-(10-phenylanthracen-9-yl)-12,16-dioxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene
PubChem CID162145798
Molecular FormulaC252H144O12
Molecular Weight3363.91 g/mol
Exact Mass3361.07
IUPAC Name5-(10-phenylanthracen-9-yl)-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;5-(10-phenylanthracen-9-yl)-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;7-(10-phenylanthracen-9-yl)-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene;7-(10-phenylanthracen-9-yl)-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14,16,18,20,22-undecaene;18-(10-phenylanthracen-9-yl)-12,22-dioxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene;20-(10-phenylanthracen-9-yl)-12,16-dioxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4oc5c(ccc6c7cc8ccccc8cc7oc65)c4c3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4oc5c(ccc6oc7c8ccccc8ccc7c65)c4c3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4oc5cc6c(cc5c4c3)oc3ccc4ccccc4c36)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4oc5cc6oc7ccc8ccccc8c7c6cc5c4c3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4oc5ccc6c(oc7ccc8ccccc8c76)c5c4c3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4oc5ccc6oc7c8ccccc8ccc7c6c5c4c3)c3ccccc23)cc1
InChIInChI=1S/6C42H24O2/c1-2-11-26(12-3-1)38-29-14-6-8-16-31(29)39(32-17-9-7-15-30(32)38)27-19-21-35-34(24-27)41-37(43-35)23-20-33-40-28-13-5-4-10-25(28)18-22-36(40)44-42(33)41;1-2-11-26(12-3-1)40-29-14-6-8-16-31(29)41(32-17-9-7-15-30(32)40)27-19-20-36-33(22-27)34-23-39-35(24-38(34)43-36)42-28-13-5-4-10-25(28)18-21-37(42)44-39;1-2-11-26(12-3-1)40-29-14-6-8-16-31(29)41(32-17-9-7-15-30(32)40)27-19-20-36-33(22-27)34-23-35-39(24-38(34)43-36)44-37-21-18-25-10-4-5-13-28(25)42(35)37;1-2-11-26(12-3-1)38-29-14-6-8-16-31(29)39(32-17-9-7-15-30(32)38)27-19-22-36-35(24-27)33-21-23-37-40(42(33)43-36)34-20-18-25-10-4-5-13-28(25)41(34)44-37;1-2-11-26(12-3-1)38-29-14-6-8-16-31(29)39(32-17-9-7-15-30(32)38)27-19-21-35-34(24-27)41-36(43-35)22-23-37-40(41)33-20-18-25-10-4-5-13-28(25)42(33)44-37;1-2-10-25(11-3-1)39-29-14-6-8-16-31(29)40(32-17-9-7-15-30(32)39)28-18-21-37-35(23-28)33-19-20-34-36-22-26-12-4-5-13-27(26)24-38(36)44-42(34)41(33)43-37/h6*1-24H
InChIKeyZKNOUWRAEVUIMB-UHFFFAOYSA-N
XLogP73.67
TPSA157.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms264
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003363.91
LogP ≤ 573.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 5-(10-phenylanthracen-9-yl)-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;5-(10-phenylanthracen-9-yl)-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;7-(10-phenylanthracen-9-yl)-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene;7-(10-phenylanthracen-9-yl)-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14,16,18,20,22-undecaene;18-(10-phenylanthracen-9-yl)-12,22-dioxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene;20-(10-phenylanthracen-9-yl)-12,16-dioxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(10-phenylanthracen-9-yl)-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;5-(10-phenylanthracen-9-yl)-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;7-(10-phenylanthracen-9-yl)-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene;7-(10-phenylanthracen-9-yl)-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14,16,18,20,22-undecaene;18-(10-phenylanthracen-9-yl)-12,22-dioxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene;20-(10-phenylanthracen-9-yl)-12,16-dioxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene?
The IUPAC name of 5-(10-phenylanthracen-9-yl)-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;5-(10-phenylanthracen-9-yl)-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;7-(10-phenylanthracen-9-yl)-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene;7-(10-phenylanthracen-9-yl)-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14,16,18,20,22-undecaene;18-(10-phenylanthracen-9-yl)-12,22-dioxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene;20-(10-phenylanthracen-9-yl)-12,16-dioxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene (CID 162145798) is 5-(10-phenylanthracen-9-yl)-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;5-(10-phenylanthracen-9-yl)-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;7-(10-phenylanthracen-9-yl)-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene;7-(10-phenylanthracen-9-yl)-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14,16,18,20,22-undecaene;18-(10-phenylanthracen-9-yl)-12,22-dioxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene;20-(10-phenylanthracen-9-yl)-12,16-dioxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene.
What is the SMILES notation for 5-(10-phenylanthracen-9-yl)-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;5-(10-phenylanthracen-9-yl)-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;7-(10-phenylanthracen-9-yl)-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene;7-(10-phenylanthracen-9-yl)-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14,16,18,20,22-undecaene;18-(10-phenylanthracen-9-yl)-12,22-dioxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene;20-(10-phenylanthracen-9-yl)-12,16-dioxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene?
The canonical SMILES for 5-(10-phenylanthracen-9-yl)-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;5-(10-phenylanthracen-9-yl)-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;7-(10-phenylanthracen-9-yl)-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene;7-(10-phenylanthracen-9-yl)-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14,16,18,20,22-undecaene;18-(10-phenylanthracen-9-yl)-12,22-dioxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene;20-(10-phenylanthracen-9-yl)-12,16-dioxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene is c1ccc(-c2c3ccccc3c(-c3ccc4oc5c(ccc6c7cc8ccccc8cc7oc65)c4c3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4oc5c(ccc6oc7c8ccccc8ccc7c65)c4c3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4oc5cc6c(cc5c4c3)oc3ccc4ccccc4c36)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4oc5cc6oc7ccc8ccccc8c7c6cc5c4c3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4oc5ccc6c(oc7ccc8ccccc8c76)c5c4c3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4oc5ccc6oc7c8ccccc8ccc7c6c5c4c3)c3ccccc23)cc1.
What is the InChIKey of 5-(10-phenylanthracen-9-yl)-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;5-(10-phenylanthracen-9-yl)-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;7-(10-phenylanthracen-9-yl)-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene;7-(10-phenylanthracen-9-yl)-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14,16,18,20,22-undecaene;18-(10-phenylanthracen-9-yl)-12,22-dioxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene;20-(10-phenylanthracen-9-yl)-12,16-dioxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene?
The InChIKey is ZKNOUWRAEVUIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/6C42H24O2/c1-2-11-26(12-3-1)38-29-14-6-8-16-31(29)39(32-17-9-7-15-30(32)38)27-19-21-35-34(24-27)41-37(43-35)23-20-33-40-28-13-5-4-10-25(28)18-22-36(40)44-42(33)41;1-2-11-26(12-3-1)40-29-14-6-8-16-31(29)41(32-17-9-7-15-30(32)40)27-19-20-36-33(22-27)34-23-39-35(24-38(34)43-36)42-28-13-5-4-10-25(28)18-21-37(42)44-39;1-2-11-26(12-3-1)40-29-14-6-8-16-31(29)41(32-17-9-7-15-30(32)40)27-19-20-36-33(22-27)34-23-35-39(24-38(34)43-36)44-37-21-18-25-10-4-5-13-28(25)42(35)37;1-2-11-26(12-3-1)38-29-14-6-8-16-31(29)39(32-17-9-7-15-30(32)38)27-19-22-36-35(24-27)33-21-23-37-40(42(33)43-36)34-20-18-25-10-4-5-13-28(25)41(34)44-37;1-2-11-26(12-3-1)38-29-14-6-8-16-31(29)39(32-17-9-7-15-30(32)38)27-19-21-35-34(24-27)41-36(43-35)22-23-37-40(41)33-20-18-25-10-4-5-13-28(25)42(33)44-37;1-2-10-25(11-3-1)39-29-14-6-8-16-31(29)40(32-17-9-7-15-30(32)39)28-18-21-37-35(23-28)33-19-20-34-36-22-26-12-4-5-13-27(26)24-38(36)44-42(34)41(33)43-37/h6*1-24H.
What are the key properties of 5-(10-phenylanthracen-9-yl)-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;5-(10-phenylanthracen-9-yl)-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;7-(10-phenylanthracen-9-yl)-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene;7-(10-phenylanthracen-9-yl)-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14,16,18,20,22-undecaene;18-(10-phenylanthracen-9-yl)-12,22-dioxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene;20-(10-phenylanthracen-9-yl)-12,16-dioxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene?
5-(10-phenylanthracen-9-yl)-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;5-(10-phenylanthracen-9-yl)-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;7-(10-phenylanthracen-9-yl)-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene;7-(10-phenylanthracen-9-yl)-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14,16,18,20,22-undecaene;18-(10-phenylanthracen-9-yl)-12,22-dioxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene;20-(10-phenylanthracen-9-yl)-12,16-dioxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene has a molecular weight of 3363.91 g/mol, XLogP of 73.67, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(10-phenylanthracen-9-yl)-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;5-(10-phenylanthracen-9-yl)-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;7-(10-phenylanthracen-9-yl)-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene;7-(10-phenylanthracen-9-yl)-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14,16,18,20,22-undecaene;18-(10-phenylanthracen-9-yl)-12,22-dioxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene;20-(10-phenylanthracen-9-yl)-12,16-dioxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene is sourced from PubChem (CID 162145798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).