11-[9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-3-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;12-[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),3,5,7,11,14,16,18-nonaene;2-[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),4,6,8,12,14,16,18-nonaene;12-[7-(10-phenylanthracen-9-yl)dibenzofuran-2-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;12-[7-(10-phenylanthracen-9-yl)dibenzothiophen-2-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene

C264H156O12S — CID 159688397

IUPAC11-[9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-3-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;12-[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),3,5,7,11,14,16,18-nonaene;2-[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),4,6,8,12,14,16,18-nonaene;12-[7-(10-phenylanthracen-9-yl)dibenzofuran-2-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;12-[7-(10-phenylanthracen-9-yl)dibenzothiophen-2-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
SMILESCC1(C)c2ccc(-c3cc4oc5ccccc5c4c4c3oc3ccccc34)cc2-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc21.CC1(C)c2ccc(-c3cc4oc5ccccc5c4c4oc5ccccc5c34)cc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21.c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)oc3ccc(-c5c6oc7ccccc7c6cc6c5oc5ccccc56)cc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)sc3ccc(-c5cc6oc7ccccc7c6c6oc7ccccc7c56)cc34)c3ccccc23)cc1.c1ccc2c(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccc(-c6c7oc8ccccc8c7cc7oc8ccccc8c67)cc45)c4ccccc34)cccc2c1
InChIInChI=1S/C57H36O2.C54H30O3.C53H34O2.C50H28O3.C50H28O2S/c1-57(2)47-28-26-35(45-32-51-54(43-19-9-11-21-49(43)58-51)55-44-20-10-12-22-50(44)59-56(45)55)30-46(47)38-27-25-37(31-48(38)57)53-41-17-7-5-15-39(41)52(40-16-6-8-18-42(40)53)36-24-23-33-13-3-4-14-34(33)29-36;1-2-14-34-31(12-1)13-11-21-37(34)52-40-18-5-3-16-38(40)50(39-17-4-6-19-41(39)52)33-24-26-36-43-28-32(25-27-47(43)55-48(36)29-33)51-53-42-20-8-10-23-46(42)56-49(53)30-44-35-15-7-9-22-45(35)57-54(44)51;1-53(2)43-27-25-32(41-30-47-51(40-21-11-12-22-45(40)54-47)52-50(41)39-20-10-13-23-46(39)55-52)28-42(43)34-26-24-33(29-44(34)53)49-37-18-8-6-16-35(37)48(31-14-4-3-5-15-31)36-17-7-9-19-38(36)49;1-2-12-29(13-3-1)46-35-16-4-6-18-37(35)47(38-19-7-5-17-36(38)46)31-22-24-34-39-26-30(23-25-44(39)51-45(34)27-31)48-49-40(32-14-8-10-20-42(32)52-49)28-41-33-15-9-11-21-43(33)53-50(41)48;1-2-12-29(13-3-1)46-33-14-4-6-16-35(33)47(36-17-7-5-15-34(36)46)31-22-24-32-40-26-30(23-25-44(40)53-45(32)27-31)39-28-43-49(38-19-9-10-20-41(38)51-43)50-48(39)37-18-8-11-21-42(37)52-50/h3-32H,1-2H3;1-30H;3-30H,1-2H3;2*1-28H
InChIKeyMWCCMNPFWLIMPN-UHFFFAOYSA-N
MW3552.21 g/mol
LogP77.05
Rot. Bonds15

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

11-[9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-3-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;12-[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),3,5,7,11,14,16,18-nonaene;2-[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),4,6,8,12,14,16,18-nonaene;12-[7-(10-phenylanthracen-9-yl)dibenzofuran-2-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;12-[7-(10-phenylanthracen-9-yl)dibenzothiophen-2-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene (PubChem CID 159688397) has the molecular formula C264H156O12S and a molecular weight of 3552.21 g/mol. Its IUPAC name is 11-[9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-3-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;12-[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),3,5,7,11,14,16,18-nonaene;2-[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),4,6,8,12,14,16,18-nonaene;12-[7-(10-phenylanthracen-9-yl)dibenzofuran-2-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;12-[7-(10-phenylanthracen-9-yl)dibenzothiophen-2-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene.

Molecular Properties

Compound Name11-[9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-3-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;12-[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),3,5,7,11,14,16,18-nonaene;2-[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),4,6,8,12,14,16,18-nonaene;12-[7-(10-phenylanthracen-9-yl)dibenzofuran-2-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;12-[7-(10-phenylanthracen-9-yl)dibenzothiophen-2-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
PubChem CID159688397
Molecular FormulaC264H156O12S
Molecular Weight3552.21 g/mol
Exact Mass3549.13
IUPAC Name11-[9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-3-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;12-[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),3,5,7,11,14,16,18-nonaene;2-[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),4,6,8,12,14,16,18-nonaene;12-[7-(10-phenylanthracen-9-yl)dibenzofuran-2-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;12-[7-(10-phenylanthracen-9-yl)dibenzothiophen-2-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
SMILESCC1(C)c2ccc(-c3cc4oc5ccccc5c4c4c3oc3ccccc34)cc2-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc21.CC1(C)c2ccc(-c3cc4oc5ccccc5c4c4oc5ccccc5c34)cc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21.c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)oc3ccc(-c5c6oc7ccccc7c6cc6c5oc5ccccc56)cc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)sc3ccc(-c5cc6oc7ccccc7c6c6oc7ccccc7c56)cc34)c3ccccc23)cc1.c1ccc2c(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccc(-c6c7oc8ccccc8c7cc7oc8ccccc8c67)cc45)c4ccccc34)cccc2c1
InChIInChI=1S/C57H36O2.C54H30O3.C53H34O2.C50H28O3.C50H28O2S/c1-57(2)47-28-26-35(45-32-51-54(43-19-9-11-21-49(43)58-51)55-44-20-10-12-22-50(44)59-56(45)55)30-46(47)38-27-25-37(31-48(38)57)53-41-17-7-5-15-39(41)52(40-16-6-8-18-42(40)53)36-24-23-33-13-3-4-14-34(33)29-36;1-2-14-34-31(12-1)13-11-21-37(34)52-40-18-5-3-16-38(40)50(39-17-4-6-19-41(39)52)33-24-26-36-43-28-32(25-27-47(43)55-48(36)29-33)51-53-42-20-8-10-23-46(42)56-49(53)30-44-35-15-7-9-22-45(35)57-54(44)51;1-53(2)43-27-25-32(41-30-47-51(40-21-11-12-22-45(40)54-47)52-50(41)39-20-10-13-23-46(39)55-52)28-42(43)34-26-24-33(29-44(34)53)49-37-18-8-6-16-35(37)48(31-14-4-3-5-15-31)36-17-7-9-19-38(36)49;1-2-12-29(13-3-1)46-35-16-4-6-18-37(35)47(38-19-7-5-17-36(38)46)31-22-24-34-39-26-30(23-25-44(39)51-45(34)27-31)48-49-40(32-14-8-10-20-42(32)52-49)28-41-33-15-9-11-21-43(33)53-50(41)48;1-2-12-29(13-3-1)46-33-14-4-6-16-35(33)47(36-17-7-5-15-34(36)46)31-22-24-32-40-26-30(23-25-44(40)53-45(32)27-31)39-28-43-49(38-19-9-10-20-41(38)51-43)50-48(39)37-18-8-11-21-42(37)52-50/h3-32H,1-2H3;1-30H;3-30H,1-2H3;2*1-28H
InChIKeyMWCCMNPFWLIMPN-UHFFFAOYSA-N
XLogP77.05
TPSA157.68 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms277
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003552.21
LogP ≤ 577.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 11-[9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-3-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;12-[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),3,5,7,11,14,16,18-nonaene;2-[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),4,6,8,12,14,16,18-nonaene;12-[7-(10-phenylanthracen-9-yl)dibenzofuran-2-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;12-[7-(10-phenylanthracen-9-yl)dibenzothiophen-2-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-[9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-3-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;12-[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),3,5,7,11,14,16,18-nonaene;2-[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),4,6,8,12,14,16,18-nonaene;12-[7-(10-phenylanthracen-9-yl)dibenzofuran-2-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;12-[7-(10-phenylanthracen-9-yl)dibenzothiophen-2-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene?
The IUPAC name of 11-[9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-3-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;12-[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),3,5,7,11,14,16,18-nonaene;2-[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),4,6,8,12,14,16,18-nonaene;12-[7-(10-phenylanthracen-9-yl)dibenzofuran-2-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;12-[7-(10-phenylanthracen-9-yl)dibenzothiophen-2-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene (CID 159688397) is 11-[9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-3-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;12-[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),3,5,7,11,14,16,18-nonaene;2-[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),4,6,8,12,14,16,18-nonaene;12-[7-(10-phenylanthracen-9-yl)dibenzofuran-2-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;12-[7-(10-phenylanthracen-9-yl)dibenzothiophen-2-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene.
What is the SMILES notation for 11-[9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-3-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;12-[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),3,5,7,11,14,16,18-nonaene;2-[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),4,6,8,12,14,16,18-nonaene;12-[7-(10-phenylanthracen-9-yl)dibenzofuran-2-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;12-[7-(10-phenylanthracen-9-yl)dibenzothiophen-2-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene?
The canonical SMILES for 11-[9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-3-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;12-[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),3,5,7,11,14,16,18-nonaene;2-[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),4,6,8,12,14,16,18-nonaene;12-[7-(10-phenylanthracen-9-yl)dibenzofuran-2-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;12-[7-(10-phenylanthracen-9-yl)dibenzothiophen-2-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene is CC1(C)c2ccc(-c3cc4oc5ccccc5c4c4c3oc3ccccc34)cc2-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc21.CC1(C)c2ccc(-c3cc4oc5ccccc5c4c4oc5ccccc5c34)cc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21.c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)oc3ccc(-c5c6oc7ccccc7c6cc6c5oc5ccccc56)cc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)sc3ccc(-c5cc6oc7ccccc7c6c6oc7ccccc7c56)cc34)c3ccccc23)cc1.c1ccc2c(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccc(-c6c7oc8ccccc8c7cc7oc8ccccc8c67)cc45)c4ccccc34)cccc2c1.
What is the InChIKey of 11-[9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-3-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;12-[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),3,5,7,11,14,16,18-nonaene;2-[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),4,6,8,12,14,16,18-nonaene;12-[7-(10-phenylanthracen-9-yl)dibenzofuran-2-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;12-[7-(10-phenylanthracen-9-yl)dibenzothiophen-2-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene?
The InChIKey is MWCCMNPFWLIMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36O2.C54H30O3.C53H34O2.C50H28O3.C50H28O2S/c1-57(2)47-28-26-35(45-32-51-54(43-19-9-11-21-49(43)58-51)55-44-20-10-12-22-50(44)59-56(45)55)30-46(47)38-27-25-37(31-48(38)57)53-41-17-7-5-15-39(41)52(40-16-6-8-18-42(40)53)36-24-23-33-13-3-4-14-34(33)29-36;1-2-14-34-31(12-1)13-11-21-37(34)52-40-18-5-3-16-38(40)50(39-17-4-6-19-41(39)52)33-24-26-36-43-28-32(25-27-47(43)55-48(36)29-33)51-53-42-20-8-10-23-46(42)56-49(53)30-44-35-15-7-9-22-45(35)57-54(44)51;1-53(2)43-27-25-32(41-30-47-51(40-21-11-12-22-45(40)54-47)52-50(41)39-20-10-13-23-46(39)55-52)28-42(43)34-26-24-33(29-44(34)53)49-37-18-8-6-16-35(37)48(31-14-4-3-5-15-31)36-17-7-9-19-38(36)49;1-2-12-29(13-3-1)46-35-16-4-6-18-37(35)47(38-19-7-5-17-36(38)46)31-22-24-34-39-26-30(23-25-44(39)51-45(34)27-31)48-49-40(32-14-8-10-20-42(32)52-49)28-41-33-15-9-11-21-43(33)53-50(41)48;1-2-12-29(13-3-1)46-33-14-4-6-16-35(33)47(36-17-7-5-15-34(36)46)31-22-24-32-40-26-30(23-25-44(40)53-45(32)27-31)39-28-43-49(38-19-9-10-20-41(38)51-43)50-48(39)37-18-8-11-21-42(37)52-50/h3-32H,1-2H3;1-30H;3-30H,1-2H3;2*1-28H.
What are the key properties of 11-[9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-3-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;12-[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),3,5,7,11,14,16,18-nonaene;2-[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),4,6,8,12,14,16,18-nonaene;12-[7-(10-phenylanthracen-9-yl)dibenzofuran-2-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;12-[7-(10-phenylanthracen-9-yl)dibenzothiophen-2-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene?
11-[9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-3-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;12-[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),3,5,7,11,14,16,18-nonaene;2-[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),4,6,8,12,14,16,18-nonaene;12-[7-(10-phenylanthracen-9-yl)dibenzofuran-2-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;12-[7-(10-phenylanthracen-9-yl)dibenzothiophen-2-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene has a molecular weight of 3552.21 g/mol, XLogP of 77.05, 15 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-3-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;12-[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),3,5,7,11,14,16,18-nonaene;2-[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),4,6,8,12,14,16,18-nonaene;12-[7-(10-phenylanthracen-9-yl)dibenzofuran-2-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;12-[7-(10-phenylanthracen-9-yl)dibenzothiophen-2-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene is sourced from PubChem (CID 159688397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).