12-(10-dibenzofuran-3-ylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;11-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaene;11-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;6-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene;7-[7-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran-2-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene

C242H142O12S — CID 162229119

About 12-(10-dibenzofuran-3-ylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;11-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaene;11-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;6-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene;7-[7-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran-2-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene

12-(10-dibenzofuran-3-ylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;11-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaene;11-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;6-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene;7-[7-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran-2-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene (PubChem CID 162229119) has the molecular formula C242H142O12S and a molecular weight of 3273.85 g/mol. Its IUPAC name is 12-(10-dibenzofuran-3-ylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;11-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaene;11-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;6-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene;7-[7-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran-2-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene.

Molecular Properties

• Compound Name: 12-(10-dibenzofuran-3-ylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;11-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaene;11-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;6-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene;7-[7-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran-2-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
• PubChem CID: 162229119
• Molecular Formula: C242H142O12S
• Molecular Weight: 3273.85 g/mol
• Exact Mass: 3271.02
• IUPAC Name: 12-(10-dibenzofuran-3-ylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;11-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaene;11-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;6-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene;7-[7-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran-2-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
• SMILES: CC1(C)c2ccc(-c3ccc4c(c3)oc3ccc5c6ccccc6oc5c34)cc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cc5oc6ccccc6c5c5c4oc4ccccc45)c4ccccc34)cc21.c1ccc2c(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccc(-c6ccc7c(c6)oc6cc8c(cc67)oc6ccccc68)cc45)c4ccccc34)cccc2c1.c1ccc2c(c1)oc1c2cc(-c2c3ccccc3c(-c3ccc4c(c3)sc3ccccc34)c3ccccc23)c2c3ccccc3oc12.c1ccc2c(c1)oc1cc(-c3c4ccccc4c(-c4c5oc6ccccc6c5cc5c4oc4ccccc45)c4ccccc34)ccc12
• InChI: InChI=1S/C54H30O3.C53H34O2.C47H30O2.C44H24O3.C44H24O2S/c1-2-12-35-31(10-1)11-9-18-39(35)54-42-16-5-3-14-40(42)53(41-15-4-6-17-43(41)54)34-21-24-37-44-26-32(22-25-48(44)56-50(37)28-34)33-20-23-38-46-30-51-45(29-52(46)57-49(38)27-33)36-13-7-8-19-47(36)55-51;1-53(2)44-26-22-32(33-20-24-42-48(30-33)54-47-27-25-41-36-14-10-11-19-46(36)55-52(41)51(42)47)28-43(44)35-23-21-34(29-45(35)53)50-39-17-8-6-15-37(39)49(31-12-4-3-5-13-31)38-16-7-9-18-40(38)50;1-47(2)37-20-10-7-13-28(37)29-24-23-27(25-38(29)47)42-30-14-3-5-16-32(30)43(33-17-6-4-15-31(33)42)36-26-41-44(34-18-8-11-21-39(34)48-41)45-35-19-9-12-22-40(35)49-46(36)45;1-3-16-32-30(14-1)40(25-21-22-29-26-11-5-8-18-36(26)45-39(29)23-25)31-15-2-4-17-33(31)41(32)42-43-34(27-12-6-9-19-37(27)46-43)24-35-28-13-7-10-20-38(28)47-44(35)42;1-3-15-31-29(13-1)40(25-21-22-28-27-12-7-10-20-38(27)47-39(28)23-25)30-14-2-4-16-32(30)41(31)35-24-34-26-11-5-8-18-36(26)45-43(34)44-42(35)33-17-6-9-19-37(33)46-44/h1-30H;3-30H,1-2H3;3-26H,1-2H3;2*1-24H
• InChIKey: ZVEFCZICJNLRHU-UHFFFAOYSA-N
• XLogP: 70.90
• TPSA: 157.68 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 255
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3273.85
LogP ≤ 5	70.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 12-(10-dibenzofuran-3-ylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;11-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaene;11-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;6-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene;7-[7-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran-2-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene?

The IUPAC name of 12-(10-dibenzofuran-3-ylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;11-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaene;11-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;6-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene;7-[7-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran-2-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene (CID 162229119) is 12-(10-dibenzofuran-3-ylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;11-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaene;11-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;6-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene;7-[7-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran-2-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene.

What is the SMILES notation for 12-(10-dibenzofuran-3-ylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;11-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaene;11-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;6-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene;7-[7-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran-2-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene?

The canonical SMILES for 12-(10-dibenzofuran-3-ylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;11-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaene;11-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;6-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene;7-[7-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran-2-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene is CC1(C)c2ccc(-c3ccc4c(c3)oc3ccc5c6ccccc6oc5c34)cc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cc5oc6ccccc6c5c5c4oc4ccccc45)c4ccccc34)cc21.c1ccc2c(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccc(-c6ccc7c(c6)oc6cc8c(cc67)oc6ccccc68)cc45)c4ccccc34)cccc2c1.c1ccc2c(c1)oc1c2cc(-c2c3ccccc3c(-c3ccc4c(c3)sc3ccccc34)c3ccccc23)c2c3ccccc3oc12.c1ccc2c(c1)oc1cc(-c3c4ccccc4c(-c4c5oc6ccccc6c5cc5c4oc4ccccc45)c4ccccc34)ccc12.

What is the InChIKey of 12-(10-dibenzofuran-3-ylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;11-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaene;11-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;6-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene;7-[7-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran-2-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene?

The InChIKey is ZVEFCZICJNLRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H30O3.C53H34O2.C47H30O2.C44H24O3.C44H24O2S/c1-2-12-35-31(10-1)11-9-18-39(35)54-42-16-5-3-14-40(42)53(41-15-4-6-17-43(41)54)34-21-24-37-44-26-32(22-25-48(44)56-50(37)28-34)33-20-23-38-46-30-51-45(29-52(46)57-49(38)27-33)36-13-7-8-19-47(36)55-51;1-53(2)44-26-22-32(33-20-24-42-48(30-33)54-47-27-25-41-36-14-10-11-19-46(36)55-52(41)51(42)47)28-43(44)35-23-21-34(29-45(35)53)50-39-17-8-6-15-37(39)49(31-12-4-3-5-13-31)38-16-7-9-18-40(38)50;1-47(2)37-20-10-7-13-28(37)29-24-23-27(25-38(29)47)42-30-14-3-5-16-32(30)43(33-17-6-4-15-31(33)42)36-26-41-44(34-18-8-11-21-39(34)48-41)45-35-19-9-12-22-40(35)49-46(36)45;1-3-16-32-30(14-1)40(25-21-22-29-26-11-5-8-18-36(26)45-39(29)23-25)31-15-2-4-17-33(31)41(32)42-43-34(27-12-6-9-19-37(27)46-43)24-35-28-13-7-10-20-38(28)47-44(35)42;1-3-15-31-29(13-1)40(25-21-22-28-27-12-7-10-20-38(27)47-39(28)23-25)30-14-2-4-16-32(30)41(31)35-24-34-26-11-5-8-18-36(26)45-43(34)44-42(35)33-17-6-9-19-37(33)46-44/h1-30H;3-30H,1-2H3;3-26H,1-2H3;2*1-24H.

What are the key properties of 12-(10-dibenzofuran-3-ylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;11-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaene;11-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;6-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene;7-[7-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran-2-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene?

12-(10-dibenzofuran-3-ylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;11-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaene;11-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;6-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene;7-[7-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran-2-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene has a molecular weight of 3273.85 g/mol, XLogP of 70.90, 12 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 12-(10-dibenzofuran-3-ylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;11-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaene;11-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;6-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene;7-[7-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran-2-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene is sourced from PubChem (CID 162229119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).