2,4-diphenyl-6-[3-(16-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl)phenyl]pyrimidine;4-[16-(2,6-diphenylpyrimidin-4-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]-2,6-diphenylpyrimidine;4-[3-[16-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]phenyl]-2,6-diphenylpyrimidine;12-phenyl-6,18-bis(3-phenylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;12-phenyl-6,18-bis(4-phenylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene

C254H156N10O10 — CID 159060642

IUPAC2,4-diphenyl-6-[3-(16-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl)phenyl]pyrimidine;4-[16-(2,6-diphenylpyrimidin-4-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]-2,6-diphenylpyrimidine;4-[3-[16-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]phenyl]-2,6-diphenylpyrimidine;12-phenyl-6,18-bis(3-phenylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;12-phenyl-6,18-bis(4-phenylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc5c4oc4cc6oc7c(-c8cccc(-c9cc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)c8)cccc7c6cc45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccc5c4oc4cc6oc7c(-c8ccccc8)cccc7c6cc45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc4c3oc3cc5oc6c(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)cccc6c5cc34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3ccc4oc5c(-c6ccccc6)c6oc7ccc(-c8ccc(-c9ccccc9)cc8)cc7c6cc5c4c3)cc2)cc1.c1ccc(-c2cccc(-c3ccc4oc5c(-c6ccccc6)c6oc7ccc(-c8cccc(-c9ccccc9)c8)cc7c6cc5c4c3)c2)cc1
InChIInChI=1S/C62H38N4O2.C50H30N4O2.2C48H30O2.C46H28N2O2/c1-5-17-39(18-6-1)53-36-55(65-61(63-53)41-21-9-3-10-22-41)45-27-13-25-43(33-45)47-29-15-31-49-51-35-52-50-32-16-30-48(60(50)68-58(52)38-57(51)67-59(47)49)44-26-14-28-46(34-44)56-37-54(40-19-7-2-8-20-40)64-62(66-56)42-23-11-4-12-24-42;1-5-15-31(16-6-1)41-28-43(53-49(51-41)33-19-9-3-10-20-33)37-25-13-23-35-39-27-40-36-24-14-26-38(48(36)56-46(40)30-45(39)55-47(35)37)44-29-42(32-17-7-2-8-18-32)52-50(54-44)34-21-11-4-12-22-34;1-4-12-31(13-5-1)34-18-10-20-36(26-34)38-22-24-44-40(28-38)42-30-43-41-29-39(37-21-11-19-35(27-37)32-14-6-2-7-15-32)23-25-45(41)50-48(43)46(47(42)49-44)33-16-8-3-9-17-33;1-4-10-31(11-5-1)33-16-20-35(21-17-33)38-24-26-44-40(28-38)42-30-43-41-29-39(36-22-18-34(19-23-36)32-12-6-2-7-13-32)25-27-45(41)50-48(43)46(47(42)49-44)37-14-8-3-9-15-37;1-4-13-29(14-5-1)34-21-11-23-36-38-26-39-37-24-12-22-35(45(37)50-43(39)28-42(38)49-44(34)36)32-19-10-20-33(25-32)41-27-40(30-15-6-2-7-16-30)47-46(48-41)31-17-8-3-9-18-31/h1-38H;1-30H;2*1-30H;1-28H
InChIKeyJYKPKJMPXFYVDO-UHFFFAOYSA-N
MW3508.10 g/mol
LogP69.72
Rot. Bonds29

About 2,4-diphenyl-6-[3-(16-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl)phenyl]pyrimidine;4-[16-(2,6-diphenylpyrimidin-4-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]-2,6-diphenylpyrimidine;4-[3-[16-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]phenyl]-2,6-diphenylpyrimidine;12-phenyl-6,18-bis(3-phenylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;12-phenyl-6,18-bis(4-phenylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene

2,4-diphenyl-6-[3-(16-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl)phenyl]pyrimidine;4-[16-(2,6-diphenylpyrimidin-4-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]-2,6-diphenylpyrimidine;4-[3-[16-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]phenyl]-2,6-diphenylpyrimidine;12-phenyl-6,18-bis(3-phenylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;12-phenyl-6,18-bis(4-phenylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene (PubChem CID 159060642) has the molecular formula C254H156N10O10 and a molecular weight of 3508.10 g/mol. Its IUPAC name is 2,4-diphenyl-6-[3-(16-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl)phenyl]pyrimidine;4-[16-(2,6-diphenylpyrimidin-4-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]-2,6-diphenylpyrimidine;4-[3-[16-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]phenyl]-2,6-diphenylpyrimidine;12-phenyl-6,18-bis(3-phenylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;12-phenyl-6,18-bis(4-phenylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene.

Molecular Properties

Compound Name2,4-diphenyl-6-[3-(16-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl)phenyl]pyrimidine;4-[16-(2,6-diphenylpyrimidin-4-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]-2,6-diphenylpyrimidine;4-[3-[16-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]phenyl]-2,6-diphenylpyrimidine;12-phenyl-6,18-bis(3-phenylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;12-phenyl-6,18-bis(4-phenylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene
PubChem CID159060642
Molecular FormulaC254H156N10O10
Molecular Weight3508.10 g/mol
Exact Mass3505.20
IUPAC Name2,4-diphenyl-6-[3-(16-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl)phenyl]pyrimidine;4-[16-(2,6-diphenylpyrimidin-4-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]-2,6-diphenylpyrimidine;4-[3-[16-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]phenyl]-2,6-diphenylpyrimidine;12-phenyl-6,18-bis(3-phenylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;12-phenyl-6,18-bis(4-phenylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc5c4oc4cc6oc7c(-c8cccc(-c9cc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)c8)cccc7c6cc45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccc5c4oc4cc6oc7c(-c8ccccc8)cccc7c6cc45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc4c3oc3cc5oc6c(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)cccc6c5cc34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3ccc4oc5c(-c6ccccc6)c6oc7ccc(-c8ccc(-c9ccccc9)cc8)cc7c6cc5c4c3)cc2)cc1.c1ccc(-c2cccc(-c3ccc4oc5c(-c6ccccc6)c6oc7ccc(-c8cccc(-c9ccccc9)c8)cc7c6cc5c4c3)c2)cc1
InChIInChI=1S/C62H38N4O2.C50H30N4O2.2C48H30O2.C46H28N2O2/c1-5-17-39(18-6-1)53-36-55(65-61(63-53)41-21-9-3-10-22-41)45-27-13-25-43(33-45)47-29-15-31-49-51-35-52-50-32-16-30-48(60(50)68-58(52)38-57(51)67-59(47)49)44-26-14-28-46(34-44)56-37-54(40-19-7-2-8-20-40)64-62(66-56)42-23-11-4-12-24-42;1-5-15-31(16-6-1)41-28-43(53-49(51-41)33-19-9-3-10-20-33)37-25-13-23-35-39-27-40-36-24-14-26-38(48(36)56-46(40)30-45(39)55-47(35)37)44-29-42(32-17-7-2-8-18-32)52-50(54-44)34-21-11-4-12-22-34;1-4-12-31(13-5-1)34-18-10-20-36(26-34)38-22-24-44-40(28-38)42-30-43-41-29-39(37-21-11-19-35(27-37)32-14-6-2-7-15-32)23-25-45(41)50-48(43)46(47(42)49-44)33-16-8-3-9-17-33;1-4-10-31(11-5-1)33-16-20-35(21-17-33)38-24-26-44-40(28-38)42-30-43-41-29-39(36-22-18-34(19-23-36)32-12-6-2-7-13-32)25-27-45(41)50-48(43)46(47(42)49-44)37-14-8-3-9-15-37;1-4-13-29(14-5-1)34-21-11-23-36-38-26-39-37-24-12-22-35(45(37)50-43(39)28-42(38)49-44(34)36)32-19-10-20-33(25-32)41-27-40(30-15-6-2-7-16-30)47-46(48-41)31-17-8-3-9-18-31/h1-38H;1-30H;2*1-30H;1-28H
InChIKeyJYKPKJMPXFYVDO-UHFFFAOYSA-N
XLogP69.72
TPSA260.30 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds29
Heavy Atoms274
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003508.10
LogP ≤ 569.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 2,4-diphenyl-6-[3-(16-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl)phenyl]pyrimidine;4-[16-(2,6-diphenylpyrimidin-4-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]-2,6-diphenylpyrimidine;4-[3-[16-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]phenyl]-2,6-diphenylpyrimidine;12-phenyl-6,18-bis(3-phenylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;12-phenyl-6,18-bis(4-phenylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene with MolForge

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Related Compounds

6,18-bis(9,9-dimethylfluoren-2-yl)-12-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-bis(9,9-dimethyl-7-phenylfluoren-2-yl)-12-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;4-(12,18-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)-2,6-diphenylpyrimidine;4-[3-(12,18-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)phenyl]-2,6-diphenylpyrimidine;4-[18-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]-2,6-diphenylpyrimidine;12-phenyl-8,16-bis(3-phenylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene
CID 158609089
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
4,6-diphenyl-2-[3-(16-phenyl-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)phenyl]pyrimidine;4,6-diphenyl-2-[3-(18-phenyl-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-5-yl)phenyl]pyrimidine;2-[18-(4,6-diphenylpyrimidin-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-5-yl]-4,6-diphenylpyrimidine;2-[3-[16-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-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]phenyl]-4,6-diphenylpyrimidine;2-[3-[18-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-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-5-yl]phenyl]-4,6-diphenylpyrimidine
CID 161038443
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 161324987
4,6-bis(4-dibenzofuran-3-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzofuran-2-ylphenyl)-6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;2,4,6-tris(4-dibenzofuran-4-ylphenyl)pyrimidine
CID 162075982
4-(3-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 160752497
6,18-bis(8-phenyldibenzofuran-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;4-(6,18-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-12-yl)-2,6-diphenylpyrimidine;2,4-diphenyl-6-(18-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)pyrimidine;6-phenyl-18-(18-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6-phenyl-18-[4-(18-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene
CID 159378619
2-[3-(6,18-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-12-yl)phenyl]-4,6-diphenylpyrimidine
CID 59146935
4,6-diphenyl-2-[8-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]pyrimidine
CID 166952923
2,4-diphenyl-6-[3-[5-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]pyrimidine
CID 164835155
4-dibenzofuran-2-yl-6-[3-dibenzofuran-4-yl-5-(4-phenylphenyl)phenyl]-2-phenylpyrimidine
CID 171584969
2,4-diphenyl-6-[3-[8-(3-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 118651034

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[3-(16-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl)phenyl]pyrimidine;4-[16-(2,6-diphenylpyrimidin-4-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]-2,6-diphenylpyrimidine;4-[3-[16-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]phenyl]-2,6-diphenylpyrimidine;12-phenyl-6,18-bis(3-phenylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;12-phenyl-6,18-bis(4-phenylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene?
The IUPAC name of 2,4-diphenyl-6-[3-(16-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl)phenyl]pyrimidine;4-[16-(2,6-diphenylpyrimidin-4-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]-2,6-diphenylpyrimidine;4-[3-[16-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]phenyl]-2,6-diphenylpyrimidine;12-phenyl-6,18-bis(3-phenylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;12-phenyl-6,18-bis(4-phenylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene (CID 159060642) is 2,4-diphenyl-6-[3-(16-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl)phenyl]pyrimidine;4-[16-(2,6-diphenylpyrimidin-4-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]-2,6-diphenylpyrimidine;4-[3-[16-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]phenyl]-2,6-diphenylpyrimidine;12-phenyl-6,18-bis(3-phenylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;12-phenyl-6,18-bis(4-phenylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene.
What is the SMILES notation for 2,4-diphenyl-6-[3-(16-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl)phenyl]pyrimidine;4-[16-(2,6-diphenylpyrimidin-4-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]-2,6-diphenylpyrimidine;4-[3-[16-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]phenyl]-2,6-diphenylpyrimidine;12-phenyl-6,18-bis(3-phenylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;12-phenyl-6,18-bis(4-phenylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene?
The canonical SMILES for 2,4-diphenyl-6-[3-(16-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl)phenyl]pyrimidine;4-[16-(2,6-diphenylpyrimidin-4-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]-2,6-diphenylpyrimidine;4-[3-[16-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]phenyl]-2,6-diphenylpyrimidine;12-phenyl-6,18-bis(3-phenylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;12-phenyl-6,18-bis(4-phenylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene is c1ccc(-c2cc(-c3cccc(-c4cccc5c4oc4cc6oc7c(-c8cccc(-c9cc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)c8)cccc7c6cc45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccc5c4oc4cc6oc7c(-c8ccccc8)cccc7c6cc45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc4c3oc3cc5oc6c(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)cccc6c5cc34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3ccc4oc5c(-c6ccccc6)c6oc7ccc(-c8ccc(-c9ccccc9)cc8)cc7c6cc5c4c3)cc2)cc1.c1ccc(-c2cccc(-c3ccc4oc5c(-c6ccccc6)c6oc7ccc(-c8cccc(-c9ccccc9)c8)cc7c6cc5c4c3)c2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[3-(16-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl)phenyl]pyrimidine;4-[16-(2,6-diphenylpyrimidin-4-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]-2,6-diphenylpyrimidine;4-[3-[16-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]phenyl]-2,6-diphenylpyrimidine;12-phenyl-6,18-bis(3-phenylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;12-phenyl-6,18-bis(4-phenylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene?
The InChIKey is JYKPKJMPXFYVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N4O2.C50H30N4O2.2C48H30O2.C46H28N2O2/c1-5-17-39(18-6-1)53-36-55(65-61(63-53)41-21-9-3-10-22-41)45-27-13-25-43(33-45)47-29-15-31-49-51-35-52-50-32-16-30-48(60(50)68-58(52)38-57(51)67-59(47)49)44-26-14-28-46(34-44)56-37-54(40-19-7-2-8-20-40)64-62(66-56)42-23-11-4-12-24-42;1-5-15-31(16-6-1)41-28-43(53-49(51-41)33-19-9-3-10-20-33)37-25-13-23-35-39-27-40-36-24-14-26-38(48(36)56-46(40)30-45(39)55-47(35)37)44-29-42(32-17-7-2-8-18-32)52-50(54-44)34-21-11-4-12-22-34;1-4-12-31(13-5-1)34-18-10-20-36(26-34)38-22-24-44-40(28-38)42-30-43-41-29-39(37-21-11-19-35(27-37)32-14-6-2-7-15-32)23-25-45(41)50-48(43)46(47(42)49-44)33-16-8-3-9-17-33;1-4-10-31(11-5-1)33-16-20-35(21-17-33)38-24-26-44-40(28-38)42-30-43-41-29-39(36-22-18-34(19-23-36)32-12-6-2-7-13-32)25-27-45(41)50-48(43)46(47(42)49-44)37-14-8-3-9-15-37;1-4-13-29(14-5-1)34-21-11-23-36-38-26-39-37-24-12-22-35(45(37)50-43(39)28-42(38)49-44(34)36)32-19-10-20-33(25-32)41-27-40(30-15-6-2-7-16-30)47-46(48-41)31-17-8-3-9-18-31/h1-38H;1-30H;2*1-30H;1-28H.
What are the key properties of 2,4-diphenyl-6-[3-(16-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl)phenyl]pyrimidine;4-[16-(2,6-diphenylpyrimidin-4-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]-2,6-diphenylpyrimidine;4-[3-[16-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]phenyl]-2,6-diphenylpyrimidine;12-phenyl-6,18-bis(3-phenylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;12-phenyl-6,18-bis(4-phenylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene?
2,4-diphenyl-6-[3-(16-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl)phenyl]pyrimidine;4-[16-(2,6-diphenylpyrimidin-4-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]-2,6-diphenylpyrimidine;4-[3-[16-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]phenyl]-2,6-diphenylpyrimidine;12-phenyl-6,18-bis(3-phenylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;12-phenyl-6,18-bis(4-phenylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene has a molecular weight of 3508.10 g/mol, XLogP of 69.72, 29 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[3-(16-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl)phenyl]pyrimidine;4-[16-(2,6-diphenylpyrimidin-4-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]-2,6-diphenylpyrimidine;4-[3-[16-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]phenyl]-2,6-diphenylpyrimidine;12-phenyl-6,18-bis(3-phenylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;12-phenyl-6,18-bis(4-phenylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene is sourced from PubChem (CID 159060642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).