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;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;11-(3-methyl-1H-benzimidazol-3-ium-2-yl)-12-(1-methylbenzimidazol-2-yl)-3,8-diphenylindolo[2,3-a]carbazole;12-(1-methylbenzimidazol-2-yl)-3,8,11-triphenylindolo[2,3-a]carbazole;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

C318H213N14O12+ — CID 161484208

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;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;11-(3-methyl-1H-benzimidazol-3-ium-2-yl)-12-(1-methylbenzimidazol-2-yl)-3,8-diphenylindolo[2,3-a]carbazole;12-(1-methylbenzimidazol-2-yl)-3,8,11-triphenylindolo[2,3-a]carbazole;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
SMILESCn1c(-n2c3ccc(-c4ccccc4)cc3c3ccc4c5cc(-c6ccccc6)ccc5n(-c5[nH]c6ccccc6[n+]5C)c4c32)nc2ccccc21.Cn1c(-n2c3ccc(-c4ccccc4)cc3c3ccc4c5cc(-c6ccccc6)ccc5n(-c5ccccc5)c4c32)nc2ccccc21.c1cc2oc3cc4oc5ccc(C6CCCCC6)cc5c4cc3c2cc1C1CCCCC1.c1ccc(-c2cc(-c3ccc4oc5cc6oc7ccc(-c8cc(-c9ccccc9)nc(-c9ccccc9)n8)cc7c6cc5c4c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3oc4c(-c5ccc6ccccc6c5)c5oc6ccc(-c7ccccc7)cc6c5cc4c3c2)cc1.c1ccc(Cc2ccc3oc4cc5oc6ccc(Cc7ccccc7)cc6c5cc4c3c2)cc1.c1ccc2c(-c3ccc4oc5cc6oc7ccc(-c8cccc9ccccc89)cc7c6cc5c4c3)cccc2c1.c1ccc2cc(-c3ccc4oc5cc6oc7ccc(-c8ccc9ccccc9c8)cc7c6cc5c4c3)ccc2c1
InChIInChI=1S/C50H30N4O2.C46H32N6.C44H30N4.C40H24O2.2C38H22O2.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;1-49-41-19-11-9-17-37(41)47-45(49)51-39-25-21-31(29-13-5-3-6-14-29)27-35(39)33-23-24-34-36-28-32(30-15-7-4-8-16-30)22-26-40(36)52(44(34)43(33)51)46-48-38-18-10-12-20-42(38)50(46)2;1-46-41-20-12-11-19-38(41)45-44(46)48-40-26-22-32(30-15-7-3-8-16-30)28-37(40)35-24-23-34-36-27-31(29-13-5-2-6-14-29)21-25-39(36)47(42(34)43(35)48)33-17-9-4-10-18-33;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;3-28H,1-2H3;2-28H,1H3;1-24H;2*1-22H;1-14,17-20H,15-16H2;11-20H,1-10H2/p+1
InChIKeyVXIWVEQHQZYIJB-UHFFFAOYSA-O
MW4422.29 g/mol
LogP86.72
Rot. Bonds27

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;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;11-(3-methyl-1H-benzimidazol-3-ium-2-yl)-12-(1-methylbenzimidazol-2-yl)-3,8-diphenylindolo[2,3-a]carbazole;12-(1-methylbenzimidazol-2-yl)-3,8,11-triphenylindolo[2,3-a]carbazole;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;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;11-(3-methyl-1H-benzimidazol-3-ium-2-yl)-12-(1-methylbenzimidazol-2-yl)-3,8-diphenylindolo[2,3-a]carbazole;12-(1-methylbenzimidazol-2-yl)-3,8,11-triphenylindolo[2,3-a]carbazole;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 161484208) has the molecular formula C318H213N14O12+ and a molecular weight of 4422.29 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;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;11-(3-methyl-1H-benzimidazol-3-ium-2-yl)-12-(1-methylbenzimidazol-2-yl)-3,8-diphenylindolo[2,3-a]carbazole;12-(1-methylbenzimidazol-2-yl)-3,8,11-triphenylindolo[2,3-a]carbazole;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;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;11-(3-methyl-1H-benzimidazol-3-ium-2-yl)-12-(1-methylbenzimidazol-2-yl)-3,8-diphenylindolo[2,3-a]carbazole;12-(1-methylbenzimidazol-2-yl)-3,8,11-triphenylindolo[2,3-a]carbazole;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 CID161484208
Molecular FormulaC318H213N14O12+
Molecular Weight4422.29 g/mol
Exact Mass4418.65
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;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;11-(3-methyl-1H-benzimidazol-3-ium-2-yl)-12-(1-methylbenzimidazol-2-yl)-3,8-diphenylindolo[2,3-a]carbazole;12-(1-methylbenzimidazol-2-yl)-3,8,11-triphenylindolo[2,3-a]carbazole;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
SMILESCn1c(-n2c3ccc(-c4ccccc4)cc3c3ccc4c5cc(-c6ccccc6)ccc5n(-c5[nH]c6ccccc6[n+]5C)c4c32)nc2ccccc21.Cn1c(-n2c3ccc(-c4ccccc4)cc3c3ccc4c5cc(-c6ccccc6)ccc5n(-c5ccccc5)c4c32)nc2ccccc21.c1cc2oc3cc4oc5ccc(C6CCCCC6)cc5c4cc3c2cc1C1CCCCC1.c1ccc(-c2cc(-c3ccc4oc5cc6oc7ccc(-c8cc(-c9ccccc9)nc(-c9ccccc9)n8)cc7c6cc5c4c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3oc4c(-c5ccc6ccccc6c5)c5oc6ccc(-c7ccccc7)cc6c5cc4c3c2)cc1.c1ccc(Cc2ccc3oc4cc5oc6ccc(Cc7ccccc7)cc6c5cc4c3c2)cc1.c1ccc2c(-c3ccc4oc5cc6oc7ccc(-c8cccc9ccccc89)cc7c6cc5c4c3)cccc2c1.c1ccc2cc(-c3ccc4oc5cc6oc7ccc(-c8ccc9ccccc9c8)cc7c6cc5c4c3)ccc2c1
InChIInChI=1S/C50H30N4O2.C46H32N6.C44H30N4.C40H24O2.2C38H22O2.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;1-49-41-19-11-9-17-37(41)47-45(49)51-39-25-21-31(29-13-5-3-6-14-29)27-35(39)33-23-24-34-36-28-32(30-15-7-4-8-16-30)22-26-40(36)52(44(34)43(33)51)46-48-38-18-10-12-20-42(38)50(46)2;1-46-41-20-12-11-19-38(41)45-44(46)48-40-26-22-32(30-15-7-3-8-16-30)28-37(40)35-24-23-34-36-27-31(29-13-5-2-6-14-29)21-25-39(36)47(42(34)43(35)48)33-17-9-4-10-18-33;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;3-28H,1-2H3;2-28H,1H3;1-24H;2*1-22H;1-14,17-20H,15-16H2;11-20H,1-10H2/p+1
InChIKeyVXIWVEQHQZYIJB-UHFFFAOYSA-O
XLogP86.72
TPSA284.27 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds27
Heavy Atoms344
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004422.29
LogP ≤ 586.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

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;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;11-(3-methyl-1H-benzimidazol-3-ium-2-yl)-12-(1-methylbenzimidazol-2-yl)-3,8-diphenylindolo[2,3-a]carbazole;12-(1-methylbenzimidazol-2-yl)-3,8,11-triphenylindolo[2,3-a]carbazole;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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Frequently Asked Questions

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;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;11-(3-methyl-1H-benzimidazol-3-ium-2-yl)-12-(1-methylbenzimidazol-2-yl)-3,8-diphenylindolo[2,3-a]carbazole;12-(1-methylbenzimidazol-2-yl)-3,8,11-triphenylindolo[2,3-a]carbazole;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;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;11-(3-methyl-1H-benzimidazol-3-ium-2-yl)-12-(1-methylbenzimidazol-2-yl)-3,8-diphenylindolo[2,3-a]carbazole;12-(1-methylbenzimidazol-2-yl)-3,8,11-triphenylindolo[2,3-a]carbazole;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 161484208) 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;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;11-(3-methyl-1H-benzimidazol-3-ium-2-yl)-12-(1-methylbenzimidazol-2-yl)-3,8-diphenylindolo[2,3-a]carbazole;12-(1-methylbenzimidazol-2-yl)-3,8,11-triphenylindolo[2,3-a]carbazole;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;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;11-(3-methyl-1H-benzimidazol-3-ium-2-yl)-12-(1-methylbenzimidazol-2-yl)-3,8-diphenylindolo[2,3-a]carbazole;12-(1-methylbenzimidazol-2-yl)-3,8,11-triphenylindolo[2,3-a]carbazole;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;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;11-(3-methyl-1H-benzimidazol-3-ium-2-yl)-12-(1-methylbenzimidazol-2-yl)-3,8-diphenylindolo[2,3-a]carbazole;12-(1-methylbenzimidazol-2-yl)-3,8,11-triphenylindolo[2,3-a]carbazole;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 Cn1c(-n2c3ccc(-c4ccccc4)cc3c3ccc4c5cc(-c6ccccc6)ccc5n(-c5[nH]c6ccccc6[n+]5C)c4c32)nc2ccccc21.Cn1c(-n2c3ccc(-c4ccccc4)cc3c3ccc4c5cc(-c6ccccc6)ccc5n(-c5ccccc5)c4c32)nc2ccccc21.c1cc2oc3cc4oc5ccc(C6CCCCC6)cc5c4cc3c2cc1C1CCCCC1.c1ccc(-c2cc(-c3ccc4oc5cc6oc7ccc(-c8cc(-c9ccccc9)nc(-c9ccccc9)n8)cc7c6cc5c4c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3oc4c(-c5ccc6ccccc6c5)c5oc6ccc(-c7ccccc7)cc6c5cc4c3c2)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;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;11-(3-methyl-1H-benzimidazol-3-ium-2-yl)-12-(1-methylbenzimidazol-2-yl)-3,8-diphenylindolo[2,3-a]carbazole;12-(1-methylbenzimidazol-2-yl)-3,8,11-triphenylindolo[2,3-a]carbazole;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 VXIWVEQHQZYIJB-UHFFFAOYSA-O. The full InChI is InChI=1S/C50H30N4O2.C46H32N6.C44H30N4.C40H24O2.2C38H22O2.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;1-49-41-19-11-9-17-37(41)47-45(49)51-39-25-21-31(29-13-5-3-6-14-29)27-35(39)33-23-24-34-36-28-32(30-15-7-4-8-16-30)22-26-40(36)52(44(34)43(33)51)46-48-38-18-10-12-20-42(38)50(46)2;1-46-41-20-12-11-19-38(41)45-44(46)48-40-26-22-32(30-15-7-3-8-16-30)28-37(40)35-24-23-34-36-27-31(29-13-5-2-6-14-29)21-25-39(36)47(42(34)43(35)48)33-17-9-4-10-18-33;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;3-28H,1-2H3;2-28H,1H3;1-24H;2*1-22H;1-14,17-20H,15-16H2;11-20H,1-10H2/p+1.
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;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;11-(3-methyl-1H-benzimidazol-3-ium-2-yl)-12-(1-methylbenzimidazol-2-yl)-3,8-diphenylindolo[2,3-a]carbazole;12-(1-methylbenzimidazol-2-yl)-3,8,11-triphenylindolo[2,3-a]carbazole;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;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;11-(3-methyl-1H-benzimidazol-3-ium-2-yl)-12-(1-methylbenzimidazol-2-yl)-3,8-diphenylindolo[2,3-a]carbazole;12-(1-methylbenzimidazol-2-yl)-3,8,11-triphenylindolo[2,3-a]carbazole;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 4422.29 g/mol, XLogP of 86.72, 27 rotatable bonds, 1 hydrogen bond donors, and 24 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;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;11-(3-methyl-1H-benzimidazol-3-ium-2-yl)-12-(1-methylbenzimidazol-2-yl)-3,8-diphenylindolo[2,3-a]carbazole;12-(1-methylbenzimidazol-2-yl)-3,8,11-triphenylindolo[2,3-a]carbazole;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 161484208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).