3,3-dimethyl-7-[6-(10-phenylanthracen-9-yl)-7,8-dihydronaphthalen-2-yl]-22-oxahexacyclo[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;16,16-dimethyl-20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),5,7,11,13,15(23),17(22),18,20-decaene;23,23-dimethyl-19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-9-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),4,6,11,14,16(24),17(22),18,20-decaene;23,23-dimethyl-19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-oxahexacyclo[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

C220H150O4 — CID 163623113

IUPAC3,3-dimethyl-7-[6-(10-phenylanthracen-9-yl)-7,8-dihydronaphthalen-2-yl]-22-oxahexacyclo[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;16,16-dimethyl-20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),5,7,11,13,15(23),17(22),18,20-decaene;23,23-dimethyl-19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-9-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),4,6,11,14,16(24),17(22),18,20-decaene;23,23-dimethyl-19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-oxahexacyclo[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
SMILESCC1(C)c2ccc(-c3ccc4c(c3)CCC(c3c5ccccc5c(-c5ccccc5)c5ccccc35)=C4)cc2-c2ccc3cc4c(cc3c21)oc1ccccc14.CC1(C)c2ccc(-c3ccc4cc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)ccc4c3)cc2-c2cc3c4c(ccc3cc21)C1C=CC=CC1O4.CC1(C)c2ccc(-c3ccc4cc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)ccc4c3)cc2-c2ccc3ccc4c(c3c21)C1C=CC=CC1O4.CC1(C)c2ccc(-c3ccc4cc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)ccc4c3)cc2-c2ccc3ccc4c5ccccc5oc4c3c21
InChIInChI=1S/C55H36O.3C55H38O/c1-55(2)48-29-26-38(32-47(48)45-27-24-34-25-28-46-40-14-10-11-19-49(40)56-54(46)52(34)53(45)55)36-20-21-37-31-39(23-22-35(37)30-36)51-43-17-8-6-15-41(43)50(33-12-4-3-5-13-33)42-16-7-9-18-44(42)51;1-55(2)49-27-25-37(30-47(49)45-26-24-38-31-48-40-14-10-11-19-50(40)56-51(48)32-46(38)54(45)55)35-20-21-36-29-39(23-22-34(36)28-35)53-43-17-8-6-15-41(43)52(33-12-4-3-5-13-33)42-16-7-9-18-44(42)53;1-55(2)49-27-25-37(30-47(49)48-32-46-38(31-50(48)55)24-26-45-40-14-10-11-19-51(40)56-54(45)46)35-20-21-36-29-39(23-22-34(36)28-35)53-43-17-8-6-15-41(43)52(33-12-4-3-5-13-33)42-16-7-9-18-44(42)53;1-55(2)47-28-25-38(32-46(47)44-27-24-34-26-29-49-53(52(34)54(44)55)45-18-10-11-19-48(45)56-49)36-20-21-37-31-39(23-22-35(37)30-36)51-42-16-8-6-14-40(42)50(33-12-4-3-5-13-33)41-15-7-9-17-43(41)51/h3-32H,1-2H3;3-21,24-32H,22-23H2,1-2H3;3-32,40,51H,1-2H3;3-32,45,48H,1-2H3
InChIKeyHPVROCCHXSAXQV-UHFFFAOYSA-N
MW2857.62 g/mol
LogP59.83
Rot. Bonds12

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

3,3-dimethyl-7-[6-(10-phenylanthracen-9-yl)-7,8-dihydronaphthalen-2-yl]-22-oxahexacyclo[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;16,16-dimethyl-20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),5,7,11,13,15(23),17(22),18,20-decaene;23,23-dimethyl-19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-9-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),4,6,11,14,16(24),17(22),18,20-decaene;23,23-dimethyl-19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-oxahexacyclo[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 (PubChem CID 163623113) has the molecular formula C220H150O4 and a molecular weight of 2857.62 g/mol. Its IUPAC name is 3,3-dimethyl-7-[6-(10-phenylanthracen-9-yl)-7,8-dihydronaphthalen-2-yl]-22-oxahexacyclo[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;16,16-dimethyl-20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),5,7,11,13,15(23),17(22),18,20-decaene;23,23-dimethyl-19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-9-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),4,6,11,14,16(24),17(22),18,20-decaene;23,23-dimethyl-19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-oxahexacyclo[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.

Molecular Properties

Compound Name3,3-dimethyl-7-[6-(10-phenylanthracen-9-yl)-7,8-dihydronaphthalen-2-yl]-22-oxahexacyclo[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;16,16-dimethyl-20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),5,7,11,13,15(23),17(22),18,20-decaene;23,23-dimethyl-19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-9-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),4,6,11,14,16(24),17(22),18,20-decaene;23,23-dimethyl-19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-oxahexacyclo[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
PubChem CID163623113
Molecular FormulaC220H150O4
Molecular Weight2857.62 g/mol
Exact Mass2855.15
IUPAC Name3,3-dimethyl-7-[6-(10-phenylanthracen-9-yl)-7,8-dihydronaphthalen-2-yl]-22-oxahexacyclo[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;16,16-dimethyl-20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),5,7,11,13,15(23),17(22),18,20-decaene;23,23-dimethyl-19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-9-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),4,6,11,14,16(24),17(22),18,20-decaene;23,23-dimethyl-19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-oxahexacyclo[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
SMILESCC1(C)c2ccc(-c3ccc4c(c3)CCC(c3c5ccccc5c(-c5ccccc5)c5ccccc35)=C4)cc2-c2ccc3cc4c(cc3c21)oc1ccccc14.CC1(C)c2ccc(-c3ccc4cc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)ccc4c3)cc2-c2cc3c4c(ccc3cc21)C1C=CC=CC1O4.CC1(C)c2ccc(-c3ccc4cc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)ccc4c3)cc2-c2ccc3ccc4c(c3c21)C1C=CC=CC1O4.CC1(C)c2ccc(-c3ccc4cc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)ccc4c3)cc2-c2ccc3ccc4c5ccccc5oc4c3c21
InChIInChI=1S/C55H36O.3C55H38O/c1-55(2)48-29-26-38(32-47(48)45-27-24-34-25-28-46-40-14-10-11-19-49(40)56-54(46)52(34)53(45)55)36-20-21-37-31-39(23-22-35(37)30-36)51-43-17-8-6-15-41(43)50(33-12-4-3-5-13-33)42-16-7-9-18-44(42)51;1-55(2)49-27-25-37(30-47(49)45-26-24-38-31-48-40-14-10-11-19-50(40)56-51(48)32-46(38)54(45)55)35-20-21-36-29-39(23-22-34(36)28-35)53-43-17-8-6-15-41(43)52(33-12-4-3-5-13-33)42-16-7-9-18-44(42)53;1-55(2)49-27-25-37(30-47(49)48-32-46-38(31-50(48)55)24-26-45-40-14-10-11-19-51(40)56-54(45)46)35-20-21-36-29-39(23-22-34(36)28-35)53-43-17-8-6-15-41(43)52(33-12-4-3-5-13-33)42-16-7-9-18-44(42)53;1-55(2)47-28-25-38(32-46(47)44-27-24-34-26-29-49-53(52(34)54(44)55)45-18-10-11-19-48(45)56-49)36-20-21-37-31-39(23-22-35(37)30-36)51-42-16-8-6-14-40(42)50(33-12-4-3-5-13-33)41-15-7-9-17-43(41)51/h3-32H,1-2H3;3-21,24-32H,22-23H2,1-2H3;3-32,40,51H,1-2H3;3-32,45,48H,1-2H3
InChIKeyHPVROCCHXSAXQV-UHFFFAOYSA-N
XLogP59.83
TPSA44.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms224
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002857.62
LogP ≤ 559.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Related Compounds

3,3-dimethyl-7-[4-(10-phenylanthracen-9-yl)phenyl]-16-oxahexacyclo[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;3,3-dimethyl-7-[4-(10-phenylanthracen-9-yl)phenyl]-22-oxahexacyclo[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;15,15-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-9-oxahexacyclo[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;23,23-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[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;23,23-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-9-oxahexacyclo[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
CID 158382726
16,16-dimethyl-20-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-oxahexacyclo[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;16,16-dimethyl-20-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9-oxahexacyclo[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;22,22-dimethyl-18-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-10-oxahexacyclo[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-undecaene;23,23-dimethyl-19-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-oxahexacyclo[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;23,23-dimethyl-19-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9-oxahexacyclo[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
CID 161256776
7-(10-dibenzofuran-2-ylanthracen-9-yl)-3,3-dimethyl-16-oxahexacyclo[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-dibenzofuran-3-ylanthracen-9-yl)-3,3-dimethyl-22-oxahexacyclo[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-(10-dibenzofuran-2-ylanthracen-9-yl)-15,15-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene;19-(10-dibenzofuran-2-ylanthracen-9-yl)-23,23-dimethyl-9-oxahexacyclo[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;19-(10-dibenzofuran-3-ylanthracen-9-yl)-15,15-dimethyl-9-oxahexacyclo[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 159993665
2-N-(5a,9a-dihydrodibenzofuran-4-yl)-6-N-dibenzofuran-4-yl-2-N,6-N-bis(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene-2,6-diamine
CID 89260922
18-(10-dibenzothiophen-3-ylanthracen-9-yl)-22,22-dimethyl-10-oxahexacyclo[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-undecaene;19-(10-dibenzothiophen-3-ylanthracen-9-yl)-23,23-dimethyl-3-oxahexacyclo[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;20-(10-dibenzothiophen-3-ylanthracen-9-yl)-16,16-dimethyl-3-oxahexacyclo[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-(10-dibenzothiophen-3-ylanthracen-9-yl)-16,16-dimethyl-9-oxahexacyclo[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 160756784
16,16-dimethyl-20-[3-(10-phenylanthracen-9-yl)phenyl]-10-oxahexacyclo[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
CID 130211904
15,15-dimethyl-19-(10-phenylanthracen-9-yl)-3-oxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene
CID 130211730
3,3-dimethyl-7-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-22-oxahexacyclo[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 130211959
22,22-dimethyl-18-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[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
CID 130211875
22,22-dimethyl-18-(10-phenylanthracen-9-yl)-3-oxahexacyclo[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
CID 163527881
19-[5-(9,9-dimethylfluoren-2-yl)benzo[10]annulen-12-yl]-23,23-dimethyl-3-oxahexacyclo[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
CID 163592615
16,16-dimethyl-20-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9-oxahexacyclo[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 130211999

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-7-[6-(10-phenylanthracen-9-yl)-7,8-dihydronaphthalen-2-yl]-22-oxahexacyclo[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;16,16-dimethyl-20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),5,7,11,13,15(23),17(22),18,20-decaene;23,23-dimethyl-19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-9-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),4,6,11,14,16(24),17(22),18,20-decaene;23,23-dimethyl-19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-oxahexacyclo[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?
The IUPAC name of 3,3-dimethyl-7-[6-(10-phenylanthracen-9-yl)-7,8-dihydronaphthalen-2-yl]-22-oxahexacyclo[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;16,16-dimethyl-20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),5,7,11,13,15(23),17(22),18,20-decaene;23,23-dimethyl-19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-9-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),4,6,11,14,16(24),17(22),18,20-decaene;23,23-dimethyl-19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-oxahexacyclo[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 (CID 163623113) is 3,3-dimethyl-7-[6-(10-phenylanthracen-9-yl)-7,8-dihydronaphthalen-2-yl]-22-oxahexacyclo[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;16,16-dimethyl-20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),5,7,11,13,15(23),17(22),18,20-decaene;23,23-dimethyl-19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-9-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),4,6,11,14,16(24),17(22),18,20-decaene;23,23-dimethyl-19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-oxahexacyclo[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.
What is the SMILES notation for 3,3-dimethyl-7-[6-(10-phenylanthracen-9-yl)-7,8-dihydronaphthalen-2-yl]-22-oxahexacyclo[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;16,16-dimethyl-20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),5,7,11,13,15(23),17(22),18,20-decaene;23,23-dimethyl-19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-9-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),4,6,11,14,16(24),17(22),18,20-decaene;23,23-dimethyl-19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-oxahexacyclo[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?
The canonical SMILES for 3,3-dimethyl-7-[6-(10-phenylanthracen-9-yl)-7,8-dihydronaphthalen-2-yl]-22-oxahexacyclo[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;16,16-dimethyl-20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),5,7,11,13,15(23),17(22),18,20-decaene;23,23-dimethyl-19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-9-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),4,6,11,14,16(24),17(22),18,20-decaene;23,23-dimethyl-19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-oxahexacyclo[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 is CC1(C)c2ccc(-c3ccc4c(c3)CCC(c3c5ccccc5c(-c5ccccc5)c5ccccc35)=C4)cc2-c2ccc3cc4c(cc3c21)oc1ccccc14.CC1(C)c2ccc(-c3ccc4cc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)ccc4c3)cc2-c2cc3c4c(ccc3cc21)C1C=CC=CC1O4.CC1(C)c2ccc(-c3ccc4cc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)ccc4c3)cc2-c2ccc3ccc4c(c3c21)C1C=CC=CC1O4.CC1(C)c2ccc(-c3ccc4cc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)ccc4c3)cc2-c2ccc3ccc4c5ccccc5oc4c3c21.
What is the InChIKey of 3,3-dimethyl-7-[6-(10-phenylanthracen-9-yl)-7,8-dihydronaphthalen-2-yl]-22-oxahexacyclo[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;16,16-dimethyl-20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),5,7,11,13,15(23),17(22),18,20-decaene;23,23-dimethyl-19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-9-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),4,6,11,14,16(24),17(22),18,20-decaene;23,23-dimethyl-19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-oxahexacyclo[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?
The InChIKey is HPVROCCHXSAXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36O.3C55H38O/c1-55(2)48-29-26-38(32-47(48)45-27-24-34-25-28-46-40-14-10-11-19-49(40)56-54(46)52(34)53(45)55)36-20-21-37-31-39(23-22-35(37)30-36)51-43-17-8-6-15-41(43)50(33-12-4-3-5-13-33)42-16-7-9-18-44(42)51;1-55(2)49-27-25-37(30-47(49)45-26-24-38-31-48-40-14-10-11-19-50(40)56-51(48)32-46(38)54(45)55)35-20-21-36-29-39(23-22-34(36)28-35)53-43-17-8-6-15-41(43)52(33-12-4-3-5-13-33)42-16-7-9-18-44(42)53;1-55(2)49-27-25-37(30-47(49)48-32-46-38(31-50(48)55)24-26-45-40-14-10-11-19-51(40)56-54(45)46)35-20-21-36-29-39(23-22-34(36)28-35)53-43-17-8-6-15-41(43)52(33-12-4-3-5-13-33)42-16-7-9-18-44(42)53;1-55(2)47-28-25-38(32-46(47)44-27-24-34-26-29-49-53(52(34)54(44)55)45-18-10-11-19-48(45)56-49)36-20-21-37-31-39(23-22-35(37)30-36)51-42-16-8-6-14-40(42)50(33-12-4-3-5-13-33)41-15-7-9-17-43(41)51/h3-32H,1-2H3;3-21,24-32H,22-23H2,1-2H3;3-32,40,51H,1-2H3;3-32,45,48H,1-2H3.
What are the key properties of 3,3-dimethyl-7-[6-(10-phenylanthracen-9-yl)-7,8-dihydronaphthalen-2-yl]-22-oxahexacyclo[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;16,16-dimethyl-20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),5,7,11,13,15(23),17(22),18,20-decaene;23,23-dimethyl-19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-9-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),4,6,11,14,16(24),17(22),18,20-decaene;23,23-dimethyl-19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-oxahexacyclo[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?
3,3-dimethyl-7-[6-(10-phenylanthracen-9-yl)-7,8-dihydronaphthalen-2-yl]-22-oxahexacyclo[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;16,16-dimethyl-20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),5,7,11,13,15(23),17(22),18,20-decaene;23,23-dimethyl-19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-9-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),4,6,11,14,16(24),17(22),18,20-decaene;23,23-dimethyl-19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-oxahexacyclo[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 has a molecular weight of 2857.62 g/mol, XLogP of 59.83, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-7-[6-(10-phenylanthracen-9-yl)-7,8-dihydronaphthalen-2-yl]-22-oxahexacyclo[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;16,16-dimethyl-20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),5,7,11,13,15(23),17(22),18,20-decaene;23,23-dimethyl-19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-9-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),4,6,11,14,16(24),17(22),18,20-decaene;23,23-dimethyl-19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-oxahexacyclo[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 is sourced from PubChem (CID 163623113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).