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

C276H162N6O16 — CID 158335031

IUPAC5,16-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
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc4c5cc(-c6ccccc6)ccc5oc4c4c3oc3ccc(-c5ccccc5)cc34)c2)cc1.c1ccc(-c2ccc3oc4c(cc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c5oc6ccc(-c7ccccc7)cc6c54)c3c2)cc1.c1ccc(-c2ccc3oc4c(ccc5oc6ccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)cc6c54)c3c2)cc1.c1ccc(-c2ccc3oc4c(ccc5oc6ccc(-c7ccc8oc9ccc%10c%11cc(-c%12ccccc%12)ccc%11oc%10c9c8c7)cc6c54)c3c2)cc1.c1ccc(-c2ccc3oc4ccc(-c5ccc6oc7c(ccc8oc9ccc(-c%10ccc%11oc%12ccc(-c%13ccccc%13)cc%12c%11c%10)cc9c87)c6c5)cc4c3c2)cc1.c1ccc(-c2ccc3oc4ccc5c6cc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)ccc6oc5c4c3c2)cc1
InChIInChI=1S/C54H30O4.C48H26O4.C48H30O2.C46H28N2O2.2C40H24N2O2/c1-3-7-31(8-4-1)33-11-18-46-41(25-33)43-28-36(13-20-48(43)55-46)35-15-22-50-40(27-35)39-17-24-52-53(54(39)58-50)45-30-38(16-23-51(45)57-52)37-14-21-49-44(29-37)42-26-34(12-19-47(42)56-49)32-9-5-2-6-10-32;1-3-7-27(8-4-1)29-11-17-39-35(23-29)33-15-21-43-45(47(33)51-39)37-25-31(13-19-41(37)49-43)32-14-20-42-38(26-32)46-44(50-42)22-16-34-36-24-30(28-9-5-2-6-10-28)12-18-40(36)52-48(34)46;1-5-13-31(14-6-1)35-21-23-44-41(28-35)42-30-40(39-26-37(33-17-9-3-10-18-33)25-38(27-39)34-19-11-4-12-20-34)47-46(48(42)49-44)43-29-36(22-24-45(43)50-47)32-15-7-2-8-16-32;1-5-13-29(14-6-1)33-21-23-41-35(25-33)36-27-37(40-28-39(31-17-9-3-10-18-31)47-46(48-40)32-19-11-4-12-20-32)45-43(44(36)49-41)38-26-34(22-24-42(38)50-45)30-15-7-2-8-16-30;1-4-10-25(11-5-1)28-16-19-36-32(22-28)38-37(43-36)21-18-30-31-23-29(17-20-35(31)44-39(30)38)34-24-33(26-12-6-2-7-13-26)41-40(42-34)27-14-8-3-9-15-27;1-4-10-25(11-5-1)28-16-19-35-31(22-28)30-18-21-37-38(39(30)44-35)32-23-29(17-20-36(32)43-37)34-24-33(26-12-6-2-7-13-26)41-40(42-34)27-14-8-3-9-15-27/h1-30H;1-26H;1-30H;1-28H;2*1-24H
InChIKeyGQMAFKRSPRAWLW-UHFFFAOYSA-N
MW3818.36 g/mol
LogP78.56
Rot. Bonds25

About 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

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 (PubChem CID 158335031) has the molecular formula C276H162N6O16 and a molecular weight of 3818.36 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5,16-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
PubChem CID158335031
Molecular FormulaC276H162N6O16
Molecular Weight3818.36 g/mol
Exact Mass3815.20
IUPAC Name5,16-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
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc4c5cc(-c6ccccc6)ccc5oc4c4c3oc3ccc(-c5ccccc5)cc34)c2)cc1.c1ccc(-c2ccc3oc4c(cc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c5oc6ccc(-c7ccccc7)cc6c54)c3c2)cc1.c1ccc(-c2ccc3oc4c(ccc5oc6ccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)cc6c54)c3c2)cc1.c1ccc(-c2ccc3oc4c(ccc5oc6ccc(-c7ccc8oc9ccc%10c%11cc(-c%12ccccc%12)ccc%11oc%10c9c8c7)cc6c54)c3c2)cc1.c1ccc(-c2ccc3oc4ccc(-c5ccc6oc7c(ccc8oc9ccc(-c%10ccc%11oc%12ccc(-c%13ccccc%13)cc%12c%11c%10)cc9c87)c6c5)cc4c3c2)cc1.c1ccc(-c2ccc3oc4ccc5c6cc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)ccc6oc5c4c3c2)cc1
InChIInChI=1S/C54H30O4.C48H26O4.C48H30O2.C46H28N2O2.2C40H24N2O2/c1-3-7-31(8-4-1)33-11-18-46-41(25-33)43-28-36(13-20-48(43)55-46)35-15-22-50-40(27-35)39-17-24-52-53(54(39)58-50)45-30-38(16-23-51(45)57-52)37-14-21-49-44(29-37)42-26-34(12-19-47(42)56-49)32-9-5-2-6-10-32;1-3-7-27(8-4-1)29-11-17-39-35(23-29)33-15-21-43-45(47(33)51-39)37-25-31(13-19-41(37)49-43)32-14-20-42-38(26-32)46-44(50-42)22-16-34-36-24-30(28-9-5-2-6-10-28)12-18-40(36)52-48(34)46;1-5-13-31(14-6-1)35-21-23-44-41(28-35)42-30-40(39-26-37(33-17-9-3-10-18-33)25-38(27-39)34-19-11-4-12-20-34)47-46(48(42)49-44)43-29-36(22-24-45(43)50-47)32-15-7-2-8-16-32;1-5-13-29(14-6-1)33-21-23-41-35(25-33)36-27-37(40-28-39(31-17-9-3-10-18-31)47-46(48-40)32-19-11-4-12-20-32)45-43(44(36)49-41)38-26-34(22-24-42(38)50-45)30-15-7-2-8-16-30;1-4-10-25(11-5-1)28-16-19-36-32(22-28)38-37(43-36)21-18-30-31-23-29(17-20-35(31)44-39(30)38)34-24-33(26-12-6-2-7-13-26)41-40(42-34)27-14-8-3-9-15-27;1-4-10-25(11-5-1)28-16-19-35-31(22-28)30-18-21-37-38(39(30)44-35)32-23-29(17-20-36(32)43-37)34-24-33(26-12-6-2-7-13-26)41-40(42-34)27-14-8-3-9-15-27/h1-30H;1-26H;1-30H;1-28H;2*1-24H
InChIKeyGQMAFKRSPRAWLW-UHFFFAOYSA-N
XLogP78.56
TPSA287.58 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds25
Heavy Atoms298
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003818.36
LogP ≤ 578.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc(-c3ccccc3)cc(-c3cc4c5cc(-c6ccccc6)ccc5oc4c4c3oc3ccc(-c5ccccc5)cc34)c2)cc1.c1ccc(-c2ccc3oc4c(cc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c5oc6ccc(-c7ccccc7)cc6c54)c3c2)cc1.c1ccc(-c2ccc3oc4c(ccc5oc6ccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)cc6c54)c3c2)cc1.c1ccc(-c2ccc3oc4c(ccc5oc6ccc(-c7ccc8oc9ccc%10c%11cc(-c%12ccccc%12)ccc%11oc%10c9c8c7)cc6c54)c3c2)cc1.c1ccc(-c2ccc3oc4ccc(-c5ccc6oc7c(ccc8oc9ccc(-c%10ccc%11oc%12ccc(-c%13ccccc%13)cc%12c%11c%10)cc9c87)c6c5)cc4c3c2)cc1.c1ccc(-c2ccc3oc4ccc5c6cc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)ccc6oc5c4c3c2)cc1.
What is the InChIKey of 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?
The InChIKey is GQMAFKRSPRAWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H30O4.C48H26O4.C48H30O2.C46H28N2O2.2C40H24N2O2/c1-3-7-31(8-4-1)33-11-18-46-41(25-33)43-28-36(13-20-48(43)55-46)35-15-22-50-40(27-35)39-17-24-52-53(54(39)58-50)45-30-38(16-23-51(45)57-52)37-14-21-49-44(29-37)42-26-34(12-19-47(42)56-49)32-9-5-2-6-10-32;1-3-7-27(8-4-1)29-11-17-39-35(23-29)33-15-21-43-45(47(33)51-39)37-25-31(13-19-41(37)49-43)32-14-20-42-38(26-32)46-44(50-42)22-16-34-36-24-30(28-9-5-2-6-10-28)12-18-40(36)52-48(34)46;1-5-13-31(14-6-1)35-21-23-44-41(28-35)42-30-40(39-26-37(33-17-9-3-10-18-33)25-38(27-39)34-19-11-4-12-20-34)47-46(48(42)49-44)43-29-36(22-24-45(43)50-47)32-15-7-2-8-16-32;1-5-13-29(14-6-1)33-21-23-41-35(25-33)36-27-37(40-28-39(31-17-9-3-10-18-31)47-46(48-40)32-19-11-4-12-20-32)45-43(44(36)49-41)38-26-34(22-24-42(38)50-45)30-15-7-2-8-16-30;1-4-10-25(11-5-1)28-16-19-36-32(22-28)38-37(43-36)21-18-30-31-23-29(17-20-35(31)44-39(30)38)34-24-33(26-12-6-2-7-13-26)41-40(42-34)27-14-8-3-9-15-27;1-4-10-25(11-5-1)28-16-19-35-31(22-28)30-18-21-37-38(39(30)44-35)32-23-29(17-20-36(32)43-37)34-24-33(26-12-6-2-7-13-26)41-40(42-34)27-14-8-3-9-15-27/h1-30H;1-26H;1-30H;1-28H;2*1-24H.
What are the key properties of 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?
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 has a molecular weight of 3818.36 g/mol, XLogP of 78.56, 25 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158335031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).