11-benzyl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;11-dibenzofuran-2-yl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene;5,16-diphenyl-11-(8-phenyldibenzofuran-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene;4-[5-(2,6-diphenylpyrimidin-4-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]-2,6-diphenylpyrimidine;methane;11-naphthalen-1-yl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene;11-naphthalen-2-yl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene

C258H158N4O14 — CID 160840972

IUPAC11-benzyl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;11-dibenzofuran-2-yl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene;5,16-diphenyl-11-(8-phenyldibenzofuran-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene;4-[5-(2,6-diphenylpyrimidin-4-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]-2,6-diphenylpyrimidine;methane;11-naphthalen-1-yl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene;11-naphthalen-2-yl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene
SMILESC.c1ccc(-c2cc(-c3ccc4oc5c(ccc6oc7ccc(-c8cc(-c9ccccc9)nc(-c9ccccc9)n8)cc7c65)c4c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3oc4c(cc(-c5ccc6ccccc6c5)c5oc6ccc(-c7ccccc7)cc6c54)c3c2)cc1.c1ccc(-c2ccc3oc4c(cc(-c5ccc6oc7ccccc7c6c5)c5oc6ccc(-c7ccccc7)cc6c54)c3c2)cc1.c1ccc(-c2ccc3oc4c(cc(-c5cccc6ccccc56)c5oc6ccc(-c7ccccc7)cc6c54)c3c2)cc1.c1ccc(-c2ccc3oc4ccc(-c5cc6c7cc(-c8ccccc8)ccc7oc6c6c5oc5ccc(-c7ccccc7)cc56)cc4c3c2)cc1.c1ccc(Cc2cc3c4cc(-c5ccccc5)ccc4oc3c3c2oc2ccc(-c4ccccc4)cc23)cc1
InChIInChI=1S/C50H30N4O2.C48H28O3.C42H24O3.2C40H24O2.C37H24O2.CH4/c1-5-13-31(14-6-1)40-29-42(53-49(51-40)33-17-9-3-10-18-33)35-21-24-44-38(27-35)37-23-26-46-47(48(37)56-44)39-28-36(22-25-45(39)55-46)43-30-41(32-15-7-2-8-16-32)52-50(54-43)34-19-11-4-12-20-34;1-4-10-29(11-5-1)32-16-20-42-37(24-32)38-27-35(19-23-43(38)49-42)36-28-40-39-25-33(30-12-6-2-7-13-30)17-21-44(39)50-48(40)46-41-26-34(31-14-8-3-9-15-31)18-22-45(41)51-47(36)46;1-3-9-25(10-4-1)27-15-18-38-33(21-27)34-24-31(29-17-20-37-32(23-29)30-13-7-8-14-36(30)43-37)41-40(42(34)44-38)35-22-28(16-19-39(35)45-41)26-11-5-2-6-12-26;1-3-10-25(11-4-1)28-18-20-36-32(22-28)34-24-33(31-17-9-15-27-14-7-8-16-30(27)31)39-38(40(34)41-36)35-23-29(19-21-37(35)42-39)26-12-5-2-6-13-26;1-3-9-25(10-4-1)29-17-19-36-33(22-29)34-24-32(31-16-15-27-13-7-8-14-28(27)21-31)39-38(40(34)41-36)35-23-30(18-20-37(35)42-39)26-11-5-2-6-12-26;1-4-10-24(11-5-1)20-29-23-31-30-21-27(25-12-6-2-7-13-25)16-18-33(30)39-37(31)35-32-22-28(26-14-8-3-9-15-26)17-19-34(32)38-36(29)35;/h1-30H;1-28H;1-24H;2*1-24H;1-19,21-23H,20H2;1H4
InChIKeySIAGXAWWPLJZKK-UHFFFAOYSA-N
MW3538.12 g/mol
LogP73.83
Rot. Bonds23

About 11-benzyl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;11-dibenzofuran-2-yl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene;5,16-diphenyl-11-(8-phenyldibenzofuran-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene;4-[5-(2,6-diphenylpyrimidin-4-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]-2,6-diphenylpyrimidine;methane;11-naphthalen-1-yl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene;11-naphthalen-2-yl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene

11-benzyl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;11-dibenzofuran-2-yl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene;5,16-diphenyl-11-(8-phenyldibenzofuran-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene;4-[5-(2,6-diphenylpyrimidin-4-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]-2,6-diphenylpyrimidine;methane;11-naphthalen-1-yl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene;11-naphthalen-2-yl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene (PubChem CID 160840972) has the molecular formula C258H158N4O14 and a molecular weight of 3538.12 g/mol. Its IUPAC name is 11-benzyl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;11-dibenzofuran-2-yl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene;5,16-diphenyl-11-(8-phenyldibenzofuran-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene;4-[5-(2,6-diphenylpyrimidin-4-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]-2,6-diphenylpyrimidine;methane;11-naphthalen-1-yl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene;11-naphthalen-2-yl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene.

Molecular Properties

Compound Name11-benzyl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;11-dibenzofuran-2-yl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene;5,16-diphenyl-11-(8-phenyldibenzofuran-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene;4-[5-(2,6-diphenylpyrimidin-4-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]-2,6-diphenylpyrimidine;methane;11-naphthalen-1-yl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene;11-naphthalen-2-yl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene
PubChem CID160840972
Molecular FormulaC258H158N4O14
Molecular Weight3538.12 g/mol
Exact Mass3535.18
IUPAC Name11-benzyl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;11-dibenzofuran-2-yl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene;5,16-diphenyl-11-(8-phenyldibenzofuran-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene;4-[5-(2,6-diphenylpyrimidin-4-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]-2,6-diphenylpyrimidine;methane;11-naphthalen-1-yl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene;11-naphthalen-2-yl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene
SMILESC.c1ccc(-c2cc(-c3ccc4oc5c(ccc6oc7ccc(-c8cc(-c9ccccc9)nc(-c9ccccc9)n8)cc7c65)c4c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3oc4c(cc(-c5ccc6ccccc6c5)c5oc6ccc(-c7ccccc7)cc6c54)c3c2)cc1.c1ccc(-c2ccc3oc4c(cc(-c5ccc6oc7ccccc7c6c5)c5oc6ccc(-c7ccccc7)cc6c54)c3c2)cc1.c1ccc(-c2ccc3oc4c(cc(-c5cccc6ccccc56)c5oc6ccc(-c7ccccc7)cc6c54)c3c2)cc1.c1ccc(-c2ccc3oc4ccc(-c5cc6c7cc(-c8ccccc8)ccc7oc6c6c5oc5ccc(-c7ccccc7)cc56)cc4c3c2)cc1.c1ccc(Cc2cc3c4cc(-c5ccccc5)ccc4oc3c3c2oc2ccc(-c4ccccc4)cc23)cc1
InChIInChI=1S/C50H30N4O2.C48H28O3.C42H24O3.2C40H24O2.C37H24O2.CH4/c1-5-13-31(14-6-1)40-29-42(53-49(51-40)33-17-9-3-10-18-33)35-21-24-44-38(27-35)37-23-26-46-47(48(37)56-44)39-28-36(22-25-45(39)55-46)43-30-41(32-15-7-2-8-16-32)52-50(54-43)34-19-11-4-12-20-34;1-4-10-29(11-5-1)32-16-20-42-37(24-32)38-27-35(19-23-43(38)49-42)36-28-40-39-25-33(30-12-6-2-7-13-30)17-21-44(39)50-48(40)46-41-26-34(31-14-8-3-9-15-31)18-22-45(41)51-47(36)46;1-3-9-25(10-4-1)27-15-18-38-33(21-27)34-24-31(29-17-20-37-32(23-29)30-13-7-8-14-36(30)43-37)41-40(42(34)44-38)35-22-28(16-19-39(35)45-41)26-11-5-2-6-12-26;1-3-10-25(11-4-1)28-18-20-36-32(22-28)34-24-33(31-17-9-15-27-14-7-8-16-30(27)31)39-38(40(34)41-36)35-23-29(19-21-37(35)42-39)26-12-5-2-6-13-26;1-3-9-25(10-4-1)29-17-19-36-33(22-29)34-24-32(31-16-15-27-13-7-8-14-28(27)21-31)39-38(40(34)41-36)35-23-30(18-20-37(35)42-39)26-11-5-2-6-12-26;1-4-10-24(11-5-1)20-29-23-31-30-21-27(25-12-6-2-7-13-25)16-18-33(30)39-37(31)35-32-22-28(26-14-8-3-9-15-26)17-19-34(32)38-36(29)35;/h1-30H;1-28H;1-24H;2*1-24H;1-19,21-23H,20H2;1H4
InChIKeySIAGXAWWPLJZKK-UHFFFAOYSA-N
XLogP73.83
TPSA235.52 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds23
Heavy Atoms276
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003538.12
LogP ≤ 573.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 11-benzyl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;11-dibenzofuran-2-yl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene;5,16-diphenyl-11-(8-phenyldibenzofuran-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene;4-[5-(2,6-diphenylpyrimidin-4-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]-2,6-diphenylpyrimidine;methane;11-naphthalen-1-yl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene;11-naphthalen-2-yl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene with MolForge

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Related Compounds

4-[3,5-di(dibenzofuran-2-yl)phenyl]-2,6-diphenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-naphthalen-2-ylphenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 160528168
4-(3-dibenzofuran-2-yl-5-naphthalen-2-ylphenyl)-6-(3-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 171584011
5,16-bis(8-phenyldibenzofuran-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;4-(5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaen-11-yl)-2,6-diphenylpyrimidine;2,4-diphenyl-6-(5-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)pyrimidine;2,4-diphenyl-6-(16-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)pyrimidine;11-(3,5-diphenylphenyl)-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene;16-phenyl-5-(16-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene
CID 158335031
9-(16-benzyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)carbazole;9-(16-carbazol-9-yl-11-naphthalen-1-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4(9),5,7,10,12,14(19),15,17-nonaen-7-yl)carbazole;9-(16-carbazol-9-yl-11-naphthalen-2-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4(9),5,7,10,12,14(19),15,17-nonaen-7-yl)carbazole;9-(16-carbazol-9-yl-11-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4(9),5,7,10,12,14(19),15,17-nonaen-7-yl)carbazole;9-[16-carbazol-9-yl-11-(3-phenylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4(9),5,7,10,12,14(19),15,17-nonaen-7-yl]carbazole;9-[16-carbazol-9-yl-11-(4-phenylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4(9),5,7,10,12,14(19),15,17-nonaen-7-yl]carbazole;9-[16-(2,6-diphenylpyrimidin-4-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl]carbazole;9-[16-(8-phenyldibenzofuran-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl]carbazole
CID 159793661
4-(3-dibenzofuran-3-yl-5-naphthalen-1-ylphenyl)-6-naphthalen-2-yl-2-phenylpyrimidine
CID 171584084
4-[3-dibenzofuran-2-yl-5-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171583329
4-[3-dibenzofuran-2-yl-5-(3-naphthalen-2-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 171583020
4,6-bis[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4,6-bis[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine
CID 159701721
4-(3-dibenzofuran-3-yl-5-naphthalen-1-ylphenyl)-2-naphthalen-2-yl-6-phenylpyrimidine
CID 171584547
4-(3-dibenzofuran-4-yl-5-naphthalen-2-ylphenyl)-6-phenyl-2-(3-phenylphenyl)pyrimidine
CID 171583506
4-(3-dibenzofuran-4-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171583085
4-(3-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 158944867

Frequently Asked Questions

What is the IUPAC name of 11-benzyl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;11-dibenzofuran-2-yl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene;5,16-diphenyl-11-(8-phenyldibenzofuran-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene;4-[5-(2,6-diphenylpyrimidin-4-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]-2,6-diphenylpyrimidine;methane;11-naphthalen-1-yl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene;11-naphthalen-2-yl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene?
The IUPAC name of 11-benzyl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;11-dibenzofuran-2-yl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene;5,16-diphenyl-11-(8-phenyldibenzofuran-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene;4-[5-(2,6-diphenylpyrimidin-4-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]-2,6-diphenylpyrimidine;methane;11-naphthalen-1-yl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene;11-naphthalen-2-yl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene (CID 160840972) is 11-benzyl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;11-dibenzofuran-2-yl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene;5,16-diphenyl-11-(8-phenyldibenzofuran-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene;4-[5-(2,6-diphenylpyrimidin-4-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]-2,6-diphenylpyrimidine;methane;11-naphthalen-1-yl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene;11-naphthalen-2-yl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene.
What is the SMILES notation for 11-benzyl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;11-dibenzofuran-2-yl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene;5,16-diphenyl-11-(8-phenyldibenzofuran-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene;4-[5-(2,6-diphenylpyrimidin-4-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]-2,6-diphenylpyrimidine;methane;11-naphthalen-1-yl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene;11-naphthalen-2-yl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene?
The canonical SMILES for 11-benzyl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;11-dibenzofuran-2-yl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene;5,16-diphenyl-11-(8-phenyldibenzofuran-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene;4-[5-(2,6-diphenylpyrimidin-4-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]-2,6-diphenylpyrimidine;methane;11-naphthalen-1-yl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene;11-naphthalen-2-yl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene is C.c1ccc(-c2cc(-c3ccc4oc5c(ccc6oc7ccc(-c8cc(-c9ccccc9)nc(-c9ccccc9)n8)cc7c65)c4c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3oc4c(cc(-c5ccc6ccccc6c5)c5oc6ccc(-c7ccccc7)cc6c54)c3c2)cc1.c1ccc(-c2ccc3oc4c(cc(-c5ccc6oc7ccccc7c6c5)c5oc6ccc(-c7ccccc7)cc6c54)c3c2)cc1.c1ccc(-c2ccc3oc4c(cc(-c5cccc6ccccc56)c5oc6ccc(-c7ccccc7)cc6c54)c3c2)cc1.c1ccc(-c2ccc3oc4ccc(-c5cc6c7cc(-c8ccccc8)ccc7oc6c6c5oc5ccc(-c7ccccc7)cc56)cc4c3c2)cc1.c1ccc(Cc2cc3c4cc(-c5ccccc5)ccc4oc3c3c2oc2ccc(-c4ccccc4)cc23)cc1.
What is the InChIKey of 11-benzyl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;11-dibenzofuran-2-yl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene;5,16-diphenyl-11-(8-phenyldibenzofuran-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene;4-[5-(2,6-diphenylpyrimidin-4-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]-2,6-diphenylpyrimidine;methane;11-naphthalen-1-yl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene;11-naphthalen-2-yl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene?
The InChIKey is SIAGXAWWPLJZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4O2.C48H28O3.C42H24O3.2C40H24O2.C37H24O2.CH4/c1-5-13-31(14-6-1)40-29-42(53-49(51-40)33-17-9-3-10-18-33)35-21-24-44-38(27-35)37-23-26-46-47(48(37)56-44)39-28-36(22-25-45(39)55-46)43-30-41(32-15-7-2-8-16-32)52-50(54-43)34-19-11-4-12-20-34;1-4-10-29(11-5-1)32-16-20-42-37(24-32)38-27-35(19-23-43(38)49-42)36-28-40-39-25-33(30-12-6-2-7-13-30)17-21-44(39)50-48(40)46-41-26-34(31-14-8-3-9-15-31)18-22-45(41)51-47(36)46;1-3-9-25(10-4-1)27-15-18-38-33(21-27)34-24-31(29-17-20-37-32(23-29)30-13-7-8-14-36(30)43-37)41-40(42(34)44-38)35-22-28(16-19-39(35)45-41)26-11-5-2-6-12-26;1-3-10-25(11-4-1)28-18-20-36-32(22-28)34-24-33(31-17-9-15-27-14-7-8-16-30(27)31)39-38(40(34)41-36)35-23-29(19-21-37(35)42-39)26-12-5-2-6-13-26;1-3-9-25(10-4-1)29-17-19-36-33(22-29)34-24-32(31-16-15-27-13-7-8-14-28(27)21-31)39-38(40(34)41-36)35-23-30(18-20-37(35)42-39)26-11-5-2-6-12-26;1-4-10-24(11-5-1)20-29-23-31-30-21-27(25-12-6-2-7-13-25)16-18-33(30)39-37(31)35-32-22-28(26-14-8-3-9-15-26)17-19-34(32)38-36(29)35;/h1-30H;1-28H;1-24H;2*1-24H;1-19,21-23H,20H2;1H4.
What are the key properties of 11-benzyl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;11-dibenzofuran-2-yl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene;5,16-diphenyl-11-(8-phenyldibenzofuran-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene;4-[5-(2,6-diphenylpyrimidin-4-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]-2,6-diphenylpyrimidine;methane;11-naphthalen-1-yl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene;11-naphthalen-2-yl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene?
11-benzyl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;11-dibenzofuran-2-yl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene;5,16-diphenyl-11-(8-phenyldibenzofuran-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene;4-[5-(2,6-diphenylpyrimidin-4-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]-2,6-diphenylpyrimidine;methane;11-naphthalen-1-yl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene;11-naphthalen-2-yl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene has a molecular weight of 3538.12 g/mol, XLogP of 73.83, 23 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 11-benzyl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;11-dibenzofuran-2-yl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene;5,16-diphenyl-11-(8-phenyldibenzofuran-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene;4-[5-(2,6-diphenylpyrimidin-4-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]-2,6-diphenylpyrimidine;methane;11-naphthalen-1-yl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene;11-naphthalen-2-yl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene is sourced from PubChem (CID 160840972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).