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

C242H138N4O16 — CID 159378619

IUPAC6,18-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
SMILESc1ccc(-c2ccc3oc4c(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c5oc6ccc(-c7ccccc7)cc6c5cc4c3c2)cc1.c1ccc(-c2ccc3oc4cc5oc6ccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)cc6c5cc4c3c2)cc1.c1ccc(-c2ccc3oc4cc5oc6ccc(-c7ccc(-c8ccc9oc%10cc%11oc%12ccc(-c%13ccccc%13)cc%12c%11cc%10c9c8)cc7)cc6c5cc4c3c2)cc1.c1ccc(-c2ccc3oc4cc5oc6ccc(-c7ccc8oc9cc%10oc%11ccc(-c%12ccccc%12)cc%11c%10cc9c8c7)cc6c5cc4c3c2)cc1.c1ccc(-c2ccc3oc4ccc(-c5ccc6oc7cc8oc9ccc(-c%10ccc%11oc%12ccc(-c%13ccccc%13)cc%12c%11c%10)cc9c8cc7c6c5)cc4c3c2)cc1
InChIInChI=1S/2C54H30O4.C48H26O4.C46H28N2O2.C40H24N2O2/c1-3-7-31(8-4-1)33-11-17-47-39(23-33)41-25-35(13-19-49(41)55-47)37-15-21-51-43(27-37)45-29-46-44-28-38(16-22-52(44)58-54(46)30-53(45)57-51)36-14-20-50-42(26-36)40-24-34(12-18-48(40)56-50)32-9-5-2-6-10-32;1-3-7-31(8-4-1)35-15-19-47-39(23-35)43-27-45-41-25-37(17-21-49(41)57-53(45)29-51(43)55-47)33-11-13-34(14-12-33)38-18-22-50-42(26-38)46-28-44-40-24-36(32-9-5-2-6-10-32)16-20-48(40)56-52(44)30-54(46)58-50;1-3-7-27(8-4-1)29-11-15-41-33(19-29)37-23-39-35-21-31(13-17-43(35)51-47(39)25-45(37)49-41)32-14-18-44-36(22-32)40-24-38-34-20-30(28-9-5-2-6-10-28)12-16-42(34)50-46(38)26-48(40)52-44;1-5-13-29(14-6-1)33-21-23-41-35(25-33)37-27-38-36-26-34(30-15-7-2-8-16-30)22-24-42(36)50-45(38)43(44(37)49-41)40-28-39(31-17-9-3-10-18-31)47-46(48-40)32-19-11-4-12-20-32;1-4-10-25(11-5-1)28-16-18-36-30(20-28)32-22-33-31-21-29(17-19-37(31)44-39(33)24-38(32)43-36)35-23-34(26-12-6-2-7-13-26)41-40(42-35)27-14-8-3-9-15-27/h2*1-30H;1-26H;1-28H;1-24H
InChIKeyLKPZDJQHTXEZAZ-UHFFFAOYSA-N
MW3357.78 g/mol
LogP69.74
Rot. Bonds20

About 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

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 (PubChem CID 159378619) has the molecular formula C242H138N4O16 and a molecular weight of 3357.78 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6,18-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
PubChem CID159378619
Molecular FormulaC242H138N4O16
Molecular Weight3357.78 g/mol
Exact Mass3355.01
IUPAC Name6,18-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
SMILESc1ccc(-c2ccc3oc4c(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c5oc6ccc(-c7ccccc7)cc6c5cc4c3c2)cc1.c1ccc(-c2ccc3oc4cc5oc6ccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)cc6c5cc4c3c2)cc1.c1ccc(-c2ccc3oc4cc5oc6ccc(-c7ccc(-c8ccc9oc%10cc%11oc%12ccc(-c%13ccccc%13)cc%12c%11cc%10c9c8)cc7)cc6c5cc4c3c2)cc1.c1ccc(-c2ccc3oc4cc5oc6ccc(-c7ccc8oc9cc%10oc%11ccc(-c%12ccccc%12)cc%11c%10cc9c8c7)cc6c5cc4c3c2)cc1.c1ccc(-c2ccc3oc4ccc(-c5ccc6oc7cc8oc9ccc(-c%10ccc%11oc%12ccc(-c%13ccccc%13)cc%12c%11c%10)cc9c8cc7c6c5)cc4c3c2)cc1
InChIInChI=1S/2C54H30O4.C48H26O4.C46H28N2O2.C40H24N2O2/c1-3-7-31(8-4-1)33-11-17-47-39(23-33)41-25-35(13-19-49(41)55-47)37-15-21-51-43(27-37)45-29-46-44-28-38(16-22-52(44)58-54(46)30-53(45)57-51)36-14-20-50-42(26-36)40-24-34(12-18-48(40)56-50)32-9-5-2-6-10-32;1-3-7-31(8-4-1)35-15-19-47-39(23-35)43-27-45-41-25-37(17-21-49(41)57-53(45)29-51(43)55-47)33-11-13-34(14-12-33)38-18-22-50-42(26-38)46-28-44-40-24-36(32-9-5-2-6-10-32)16-20-48(40)56-52(44)30-54(46)58-50;1-3-7-27(8-4-1)29-11-15-41-33(19-29)37-23-39-35-21-31(13-17-43(35)51-47(39)25-45(37)49-41)32-14-18-44-36(22-32)40-24-38-34-20-30(28-9-5-2-6-10-28)12-16-42(34)50-46(38)26-48(40)52-44;1-5-13-29(14-6-1)33-21-23-41-35(25-33)37-27-38-36-26-34(30-15-7-2-8-16-30)22-24-42(36)50-45(38)43(44(37)49-41)40-28-39(31-17-9-3-10-18-31)47-46(48-40)32-19-11-4-12-20-32;1-4-10-25(11-5-1)28-16-18-36-30(20-28)32-22-33-31-21-29(17-19-37(31)44-39(33)24-38(32)43-36)35-23-34(26-12-6-2-7-13-26)41-40(42-35)27-14-8-3-9-15-27/h2*1-30H;1-26H;1-28H;1-24H
InChIKeyLKPZDJQHTXEZAZ-UHFFFAOYSA-N
XLogP69.74
TPSA261.80 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms262
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003357.78
LogP ≤ 569.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 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 with MolForge

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Related Compounds

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
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
4-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-19-yl)-2,6-diphenylpyrimidine
CID 154600192
2-[3-[16-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenyl]-4,6-diphenylpyrimidine
CID 67952807
2,4-diphenyl-6-[4-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine
CID 164834906
4-(3-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[3-(3-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 160871906
4-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-dibenzofuran-2-ylphenyl]-2,6-bis(4-phenylphenyl)pyrimidine
CID 153316082
4-[3-(3-naphtho[1,2-b][1]benzofuran-8-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 142293803
4-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-yl)-2,6-diphenylpyrimidine
CID 153121371
4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-2-[3-(3-phenylphenyl)phenyl]pyrimidine
CID 169280081
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc3oc4c(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c5oc6ccc(-c7ccccc7)cc6c5cc4c3c2)cc1.c1ccc(-c2ccc3oc4cc5oc6ccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)cc6c5cc4c3c2)cc1.c1ccc(-c2ccc3oc4cc5oc6ccc(-c7ccc(-c8ccc9oc%10cc%11oc%12ccc(-c%13ccccc%13)cc%12c%11cc%10c9c8)cc7)cc6c5cc4c3c2)cc1.c1ccc(-c2ccc3oc4cc5oc6ccc(-c7ccc8oc9cc%10oc%11ccc(-c%12ccccc%12)cc%11c%10cc9c8c7)cc6c5cc4c3c2)cc1.c1ccc(-c2ccc3oc4ccc(-c5ccc6oc7cc8oc9ccc(-c%10ccc%11oc%12ccc(-c%13ccccc%13)cc%12c%11c%10)cc9c8cc7c6c5)cc4c3c2)cc1.
What is the InChIKey of 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?
The InChIKey is LKPZDJQHTXEZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C54H30O4.C48H26O4.C46H28N2O2.C40H24N2O2/c1-3-7-31(8-4-1)33-11-17-47-39(23-33)41-25-35(13-19-49(41)55-47)37-15-21-51-43(27-37)45-29-46-44-28-38(16-22-52(44)58-54(46)30-53(45)57-51)36-14-20-50-42(26-36)40-24-34(12-18-48(40)56-50)32-9-5-2-6-10-32;1-3-7-31(8-4-1)35-15-19-47-39(23-35)43-27-45-41-25-37(17-21-49(41)57-53(45)29-51(43)55-47)33-11-13-34(14-12-33)38-18-22-50-42(26-38)46-28-44-40-24-36(32-9-5-2-6-10-32)16-20-48(40)56-52(44)30-54(46)58-50;1-3-7-27(8-4-1)29-11-15-41-33(19-29)37-23-39-35-21-31(13-17-43(35)51-47(39)25-45(37)49-41)32-14-18-44-36(22-32)40-24-38-34-20-30(28-9-5-2-6-10-28)12-16-42(34)50-46(38)26-48(40)52-44;1-5-13-29(14-6-1)33-21-23-41-35(25-33)37-27-38-36-26-34(30-15-7-2-8-16-30)22-24-42(36)50-45(38)43(44(37)49-41)40-28-39(31-17-9-3-10-18-31)47-46(48-40)32-19-11-4-12-20-32;1-4-10-25(11-5-1)28-16-18-36-30(20-28)32-22-33-31-21-29(17-19-37(31)44-39(33)24-38(32)43-36)35-23-34(26-12-6-2-7-13-26)41-40(42-35)27-14-8-3-9-15-27/h2*1-30H;1-26H;1-28H;1-24H.
What are the key properties of 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?
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 has a molecular weight of 3357.78 g/mol, XLogP of 69.74, 20 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159378619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).