6,18-dibenzyl-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-dicyclohexyl-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-dinaphthalen-1-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;6,18-dinaphthalen-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;6,18-diphenyl-12-(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;4-[18-(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-6-yl]-2,6-diphenylpyrimidine;12-naphthalen-1-yl-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-nonaene;12-naphthalen-2-yl-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-nonaene

C310H200N4O16 — CID 158780320

IUPAC6,18-dibenzyl-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-dicyclohexyl-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-dinaphthalen-1-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;6,18-dinaphthalen-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;6,18-diphenyl-12-(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;4-[18-(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-6-yl]-2,6-diphenylpyrimidine;12-naphthalen-1-yl-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-nonaene;12-naphthalen-2-yl-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-nonaene
SMILESc1cc2oc3cc4oc5ccc(C6CCCCC6)cc5c4cc3c2cc1C1CCCCC1.c1ccc(-c2cc(-c3ccc4oc5cc6oc7ccc(-c8cc(-c9ccccc9)nc(-c9ccccc9)n8)cc7c6cc5c4c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3oc4c(-c5ccc6ccccc6c5)c5oc6ccc(-c7ccccc7)cc6c5cc4c3c2)cc1.c1ccc(-c2ccc3oc4c(-c5cccc6ccccc56)c5oc6ccc(-c7ccccc7)cc6c5cc4c3c2)cc1.c1ccc(-c2cccc(-c3c4oc5ccc(-c6ccccc6)cc5c4cc4c3oc3ccc(-c5ccccc5)cc34)c2)cc1.c1ccc(Cc2ccc3oc4cc5oc6ccc(Cc7ccccc7)cc6c5cc4c3c2)cc1.c1ccc2c(-c3ccc4oc5cc6oc7ccc(-c8cccc9ccccc89)cc7c6cc5c4c3)cccc2c1.c1ccc2cc(-c3ccc4oc5cc6oc7ccc(-c8ccc9ccccc9c8)cc7c6cc5c4c3)ccc2c1
InChIInChI=1S/C50H30N4O2.C42H26O2.2C40H24O2.2C38H22O2.C32H22O2.C30H30O2/c1-5-13-31(14-6-1)41-28-43(53-49(51-41)33-17-9-3-10-18-33)35-21-23-45-37(25-35)39-27-40-38-26-36(22-24-46(38)56-48(40)30-47(39)55-45)44-29-42(32-15-7-2-8-16-32)52-50(54-44)34-19-11-4-12-20-34;1-4-11-27(12-5-1)30-17-10-18-33(23-30)40-41-36(34-24-31(19-21-38(34)43-41)28-13-6-2-7-14-28)26-37-35-25-32(29-15-8-3-9-16-29)20-22-39(35)44-42(37)40;1-3-10-25(11-4-1)28-18-20-36-32(22-28)34-24-35-33-23-29(26-12-5-2-6-13-26)19-21-37(33)42-40(35)38(39(34)41-36)31-17-9-15-27-14-7-8-16-30(27)31;1-3-9-25(10-4-1)29-17-19-36-32(22-29)34-24-35-33-23-30(26-11-5-2-6-12-26)18-20-37(33)42-40(35)38(39(34)41-36)31-16-15-27-13-7-8-14-28(27)21-31;1-3-11-27-23(7-1)9-5-13-29(27)25-15-17-35-31(19-25)33-21-34-32-20-26(16-18-36(32)40-38(34)22-37(33)39-35)30-14-6-10-24-8-2-4-12-28(24)30;1-3-7-25-17-27(11-9-23(25)5-1)29-13-15-35-31(19-29)33-21-34-32-20-30(14-16-36(32)40-38(34)22-37(33)39-35)28-12-10-24-6-2-4-8-26(24)18-28;1-3-7-21(8-4-1)15-23-11-13-29-25(17-23)27-19-28-26-18-24(16-22-9-5-2-6-10-22)12-14-30(26)34-32(28)20-31(27)33-29;1-3-7-19(8-4-1)21-11-13-27-23(15-21)25-17-26-24-16-22(20-9-5-2-6-10-20)12-14-28(24)32-30(26)18-29(25)31-27/h1-30H;1-26H;2*1-24H;2*1-22H;1-14,17-20H,15-16H2;11-20H,1-10H2
InChIKeyIQZJLKBZEKUFLJ-UHFFFAOYSA-N
MW4237.02 g/mol
LogP89.00
Rot. Bonds26

About 6,18-dibenzyl-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-dicyclohexyl-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-dinaphthalen-1-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;6,18-dinaphthalen-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;6,18-diphenyl-12-(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;4-[18-(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-6-yl]-2,6-diphenylpyrimidine;12-naphthalen-1-yl-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-nonaene;12-naphthalen-2-yl-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-nonaene

6,18-dibenzyl-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-dicyclohexyl-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-dinaphthalen-1-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;6,18-dinaphthalen-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;6,18-diphenyl-12-(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;4-[18-(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-6-yl]-2,6-diphenylpyrimidine;12-naphthalen-1-yl-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-nonaene;12-naphthalen-2-yl-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-nonaene (PubChem CID 158780320) has the molecular formula C310H200N4O16 and a molecular weight of 4237.02 g/mol. Its IUPAC name is 6,18-dibenzyl-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-dicyclohexyl-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-dinaphthalen-1-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;6,18-dinaphthalen-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;6,18-diphenyl-12-(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;4-[18-(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-6-yl]-2,6-diphenylpyrimidine;12-naphthalen-1-yl-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-nonaene;12-naphthalen-2-yl-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-nonaene.

Molecular Properties

Compound Name6,18-dibenzyl-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-dicyclohexyl-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-dinaphthalen-1-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;6,18-dinaphthalen-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;6,18-diphenyl-12-(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;4-[18-(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-6-yl]-2,6-diphenylpyrimidine;12-naphthalen-1-yl-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-nonaene;12-naphthalen-2-yl-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-nonaene
PubChem CID158780320
Molecular FormulaC310H200N4O16
Molecular Weight4237.02 g/mol
Exact Mass4233.50
IUPAC Name6,18-dibenzyl-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-dicyclohexyl-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-dinaphthalen-1-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;6,18-dinaphthalen-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;6,18-diphenyl-12-(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;4-[18-(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-6-yl]-2,6-diphenylpyrimidine;12-naphthalen-1-yl-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-nonaene;12-naphthalen-2-yl-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-nonaene
SMILESc1cc2oc3cc4oc5ccc(C6CCCCC6)cc5c4cc3c2cc1C1CCCCC1.c1ccc(-c2cc(-c3ccc4oc5cc6oc7ccc(-c8cc(-c9ccccc9)nc(-c9ccccc9)n8)cc7c6cc5c4c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3oc4c(-c5ccc6ccccc6c5)c5oc6ccc(-c7ccccc7)cc6c5cc4c3c2)cc1.c1ccc(-c2ccc3oc4c(-c5cccc6ccccc56)c5oc6ccc(-c7ccccc7)cc6c5cc4c3c2)cc1.c1ccc(-c2cccc(-c3c4oc5ccc(-c6ccccc6)cc5c4cc4c3oc3ccc(-c5ccccc5)cc34)c2)cc1.c1ccc(Cc2ccc3oc4cc5oc6ccc(Cc7ccccc7)cc6c5cc4c3c2)cc1.c1ccc2c(-c3ccc4oc5cc6oc7ccc(-c8cccc9ccccc89)cc7c6cc5c4c3)cccc2c1.c1ccc2cc(-c3ccc4oc5cc6oc7ccc(-c8ccc9ccccc9c8)cc7c6cc5c4c3)ccc2c1
InChIInChI=1S/C50H30N4O2.C42H26O2.2C40H24O2.2C38H22O2.C32H22O2.C30H30O2/c1-5-13-31(14-6-1)41-28-43(53-49(51-41)33-17-9-3-10-18-33)35-21-23-45-37(25-35)39-27-40-38-26-36(22-24-46(38)56-48(40)30-47(39)55-45)44-29-42(32-15-7-2-8-16-32)52-50(54-44)34-19-11-4-12-20-34;1-4-11-27(12-5-1)30-17-10-18-33(23-30)40-41-36(34-24-31(19-21-38(34)43-41)28-13-6-2-7-14-28)26-37-35-25-32(29-15-8-3-9-16-29)20-22-39(35)44-42(37)40;1-3-10-25(11-4-1)28-18-20-36-32(22-28)34-24-35-33-23-29(26-12-5-2-6-13-26)19-21-37(33)42-40(35)38(39(34)41-36)31-17-9-15-27-14-7-8-16-30(27)31;1-3-9-25(10-4-1)29-17-19-36-32(22-29)34-24-35-33-23-30(26-11-5-2-6-12-26)18-20-37(33)42-40(35)38(39(34)41-36)31-16-15-27-13-7-8-14-28(27)21-31;1-3-11-27-23(7-1)9-5-13-29(27)25-15-17-35-31(19-25)33-21-34-32-20-26(16-18-36(32)40-38(34)22-37(33)39-35)30-14-6-10-24-8-2-4-12-28(24)30;1-3-7-25-17-27(11-9-23(25)5-1)29-13-15-35-31(19-29)33-21-34-32-20-30(14-16-36(32)40-38(34)22-37(33)39-35)28-12-10-24-6-2-4-8-26(24)18-28;1-3-7-21(8-4-1)15-23-11-13-29-25(17-23)27-19-28-26-18-24(16-22-9-5-2-6-10-22)12-14-30(26)34-32(28)20-31(27)33-29;1-3-7-19(8-4-1)21-11-13-27-23(15-21)25-17-26-24-16-22(20-9-5-2-6-10-20)12-14-28(24)32-30(26)18-29(25)31-27/h1-30H;1-26H;2*1-24H;2*1-22H;1-14,17-20H,15-16H2;11-20H,1-10H2
InChIKeyIQZJLKBZEKUFLJ-UHFFFAOYSA-N
XLogP89.00
TPSA261.80 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds26
Heavy Atoms330
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004237.02
LogP ≤ 589.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 6,18-dibenzyl-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-dicyclohexyl-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-dinaphthalen-1-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;6,18-dinaphthalen-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;6,18-diphenyl-12-(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;4-[18-(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-6-yl]-2,6-diphenylpyrimidine;12-naphthalen-1-yl-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-nonaene;12-naphthalen-2-yl-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-nonaene with MolForge

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What is the IUPAC name of 6,18-dibenzyl-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-dicyclohexyl-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-dinaphthalen-1-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;6,18-dinaphthalen-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;6,18-diphenyl-12-(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;4-[18-(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-6-yl]-2,6-diphenylpyrimidine;12-naphthalen-1-yl-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-nonaene;12-naphthalen-2-yl-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-nonaene?
The IUPAC name of 6,18-dibenzyl-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-dicyclohexyl-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-dinaphthalen-1-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;6,18-dinaphthalen-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;6,18-diphenyl-12-(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;4-[18-(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-6-yl]-2,6-diphenylpyrimidine;12-naphthalen-1-yl-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-nonaene;12-naphthalen-2-yl-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-nonaene (CID 158780320) is 6,18-dibenzyl-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-dicyclohexyl-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-dinaphthalen-1-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;6,18-dinaphthalen-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;6,18-diphenyl-12-(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;4-[18-(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-6-yl]-2,6-diphenylpyrimidine;12-naphthalen-1-yl-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-nonaene;12-naphthalen-2-yl-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-nonaene.
What is the SMILES notation for 6,18-dibenzyl-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-dicyclohexyl-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-dinaphthalen-1-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;6,18-dinaphthalen-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;6,18-diphenyl-12-(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;4-[18-(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-6-yl]-2,6-diphenylpyrimidine;12-naphthalen-1-yl-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-nonaene;12-naphthalen-2-yl-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-nonaene?
The canonical SMILES for 6,18-dibenzyl-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-dicyclohexyl-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-dinaphthalen-1-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;6,18-dinaphthalen-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;6,18-diphenyl-12-(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;4-[18-(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-6-yl]-2,6-diphenylpyrimidine;12-naphthalen-1-yl-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-nonaene;12-naphthalen-2-yl-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-nonaene is c1cc2oc3cc4oc5ccc(C6CCCCC6)cc5c4cc3c2cc1C1CCCCC1.c1ccc(-c2cc(-c3ccc4oc5cc6oc7ccc(-c8cc(-c9ccccc9)nc(-c9ccccc9)n8)cc7c6cc5c4c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3oc4c(-c5ccc6ccccc6c5)c5oc6ccc(-c7ccccc7)cc6c5cc4c3c2)cc1.c1ccc(-c2ccc3oc4c(-c5cccc6ccccc56)c5oc6ccc(-c7ccccc7)cc6c5cc4c3c2)cc1.c1ccc(-c2cccc(-c3c4oc5ccc(-c6ccccc6)cc5c4cc4c3oc3ccc(-c5ccccc5)cc34)c2)cc1.c1ccc(Cc2ccc3oc4cc5oc6ccc(Cc7ccccc7)cc6c5cc4c3c2)cc1.c1ccc2c(-c3ccc4oc5cc6oc7ccc(-c8cccc9ccccc89)cc7c6cc5c4c3)cccc2c1.c1ccc2cc(-c3ccc4oc5cc6oc7ccc(-c8ccc9ccccc9c8)cc7c6cc5c4c3)ccc2c1.
What is the InChIKey of 6,18-dibenzyl-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-dicyclohexyl-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-dinaphthalen-1-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;6,18-dinaphthalen-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;6,18-diphenyl-12-(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;4-[18-(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-6-yl]-2,6-diphenylpyrimidine;12-naphthalen-1-yl-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-nonaene;12-naphthalen-2-yl-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-nonaene?
The InChIKey is IQZJLKBZEKUFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4O2.C42H26O2.2C40H24O2.2C38H22O2.C32H22O2.C30H30O2/c1-5-13-31(14-6-1)41-28-43(53-49(51-41)33-17-9-3-10-18-33)35-21-23-45-37(25-35)39-27-40-38-26-36(22-24-46(38)56-48(40)30-47(39)55-45)44-29-42(32-15-7-2-8-16-32)52-50(54-44)34-19-11-4-12-20-34;1-4-11-27(12-5-1)30-17-10-18-33(23-30)40-41-36(34-24-31(19-21-38(34)43-41)28-13-6-2-7-14-28)26-37-35-25-32(29-15-8-3-9-16-29)20-22-39(35)44-42(37)40;1-3-10-25(11-4-1)28-18-20-36-32(22-28)34-24-35-33-23-29(26-12-5-2-6-13-26)19-21-37(33)42-40(35)38(39(34)41-36)31-17-9-15-27-14-7-8-16-30(27)31;1-3-9-25(10-4-1)29-17-19-36-32(22-29)34-24-35-33-23-30(26-11-5-2-6-12-26)18-20-37(33)42-40(35)38(39(34)41-36)31-16-15-27-13-7-8-14-28(27)21-31;1-3-11-27-23(7-1)9-5-13-29(27)25-15-17-35-31(19-25)33-21-34-32-20-26(16-18-36(32)40-38(34)22-37(33)39-35)30-14-6-10-24-8-2-4-12-28(24)30;1-3-7-25-17-27(11-9-23(25)5-1)29-13-15-35-31(19-29)33-21-34-32-20-30(14-16-36(32)40-38(34)22-37(33)39-35)28-12-10-24-6-2-4-8-26(24)18-28;1-3-7-21(8-4-1)15-23-11-13-29-25(17-23)27-19-28-26-18-24(16-22-9-5-2-6-10-22)12-14-30(26)34-32(28)20-31(27)33-29;1-3-7-19(8-4-1)21-11-13-27-23(15-21)25-17-26-24-16-22(20-9-5-2-6-10-20)12-14-28(24)32-30(26)18-29(25)31-27/h1-30H;1-26H;2*1-24H;2*1-22H;1-14,17-20H,15-16H2;11-20H,1-10H2.
What are the key properties of 6,18-dibenzyl-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-dicyclohexyl-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-dinaphthalen-1-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;6,18-dinaphthalen-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;6,18-diphenyl-12-(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;4-[18-(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-6-yl]-2,6-diphenylpyrimidine;12-naphthalen-1-yl-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-nonaene;12-naphthalen-2-yl-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-nonaene?
6,18-dibenzyl-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-dicyclohexyl-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-dinaphthalen-1-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;6,18-dinaphthalen-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;6,18-diphenyl-12-(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;4-[18-(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-6-yl]-2,6-diphenylpyrimidine;12-naphthalen-1-yl-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-nonaene;12-naphthalen-2-yl-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-nonaene has a molecular weight of 4237.02 g/mol, XLogP of 89.00, 26 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 6,18-dibenzyl-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-dicyclohexyl-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-dinaphthalen-1-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;6,18-dinaphthalen-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;6,18-diphenyl-12-(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;4-[18-(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-6-yl]-2,6-diphenylpyrimidine;12-naphthalen-1-yl-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-nonaene;12-naphthalen-2-yl-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-nonaene is sourced from PubChem (CID 158780320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).