5,17-di(dibenzofuran-2-yl)-11-[5,17-di(dibenzofuran-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-di(dibenzofuran-4-yl)-11-[5,17-di(dibenzofuran-4-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-di(dibenzothiophen-2-yl)-11-[5,17-di(dibenzothiophen-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene

C288H204N6O8S4 — CID 158998708

IUPAC5,17-di(dibenzofuran-2-yl)-11-[5,17-di(dibenzofuran-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-di(dibenzofuran-4-yl)-11-[5,17-di(dibenzofuran-4-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-di(dibenzothiophen-2-yl)-11-[5,17-di(dibenzothiophen-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
SMILESCC1(C)c2cc(-c3ccc4oc5ccccc5c4c3)ccc2N2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3C(C)(C)c3cc(-c4cc5c6c(c4)C(C)(C)c4cc(-c7ccc8oc9ccccc9c8c7)ccc4N6c4ccc(-c6ccc7oc8ccccc8c7c6)cc4C5(C)C)cc1c32.CC1(C)c2cc(-c3ccc4sc5ccccc5c4c3)ccc2N2c3ccc(-c4ccc5sc6ccccc6c5c4)cc3C(C)(C)c3cc(-c4cc5c6c(c4)C(C)(C)c4cc(-c7ccc8sc9ccccc9c8c7)ccc4N6c4ccc(-c6ccc7sc8ccccc8c7c6)cc4C5(C)C)cc1c32.CC1(C)c2cc(-c3cccc4c3oc3ccccc34)ccc2N2c3ccc(-c4cccc5c4oc4ccccc45)cc3C(C)(C)c3cc(-c4cc5c6c(c4)C(C)(C)c4cc(-c7cccc8c7oc7ccccc78)ccc4N6c4ccc(-c6cccc7c6oc6ccccc67)cc4C5(C)C)cc1c32
InChIInChI=1S/2C96H68N2O4.C96H68N2S4/c1-93(2)71-45-53(59-25-17-29-67-63-21-9-13-33-83(63)99-89(59)67)37-41-79(71)97-80-42-38-54(60-26-18-30-68-64-22-10-14-34-84(64)100-90(60)68)46-72(80)94(3,4)76-50-57(49-75(93)87(76)97)58-51-77-88-78(52-58)96(7,8)74-48-56(62-28-20-32-70-66-24-12-16-36-86(66)102-92(62)70)40-44-82(74)98(88)81-43-39-55(47-73(81)95(77,5)6)61-27-19-31-69-65-23-11-15-35-85(65)101-91(61)69;2*1-93(2)71-45-57(53-29-37-87-67(41-53)63-17-9-13-21-83(63)99-87)25-33-79(71)97-80-34-26-58(54-30-38-88-68(42-54)64-18-10-14-22-84(64)100-88)46-72(80)94(3,4)76-50-61(49-75(93)91(76)97)62-51-77-92-78(52-62)96(7,8)74-48-60(56-32-40-90-70(44-56)66-20-12-16-24-86(66)102-90)28-36-82(74)98(92)81-35-27-59(47-73(81)95(77,5)6)55-31-39-89-69(43-55)65-19-11-15-23-85(65)101-89/h3*9-52H,1-8H3
InChIKeyJRBNNFNAKFOOLF-UHFFFAOYSA-N
MW4005.10 g/mol
LogP83.22
Rot. Bonds15

About 5,17-di(dibenzofuran-2-yl)-11-[5,17-di(dibenzofuran-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-di(dibenzofuran-4-yl)-11-[5,17-di(dibenzofuran-4-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-di(dibenzothiophen-2-yl)-11-[5,17-di(dibenzothiophen-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene

5,17-di(dibenzofuran-2-yl)-11-[5,17-di(dibenzofuran-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-di(dibenzofuran-4-yl)-11-[5,17-di(dibenzofuran-4-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-di(dibenzothiophen-2-yl)-11-[5,17-di(dibenzothiophen-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (PubChem CID 158998708) has the molecular formula C288H204N6O8S4 and a molecular weight of 4005.10 g/mol. Its IUPAC name is 5,17-di(dibenzofuran-2-yl)-11-[5,17-di(dibenzofuran-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-di(dibenzofuran-4-yl)-11-[5,17-di(dibenzofuran-4-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-di(dibenzothiophen-2-yl)-11-[5,17-di(dibenzothiophen-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene.

Molecular Properties

Compound Name5,17-di(dibenzofuran-2-yl)-11-[5,17-di(dibenzofuran-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-di(dibenzofuran-4-yl)-11-[5,17-di(dibenzofuran-4-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-di(dibenzothiophen-2-yl)-11-[5,17-di(dibenzothiophen-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
PubChem CID158998708
Molecular FormulaC288H204N6O8S4
Molecular Weight4005.10 g/mol
Exact Mass4001.46
IUPAC Name5,17-di(dibenzofuran-2-yl)-11-[5,17-di(dibenzofuran-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-di(dibenzofuran-4-yl)-11-[5,17-di(dibenzofuran-4-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-di(dibenzothiophen-2-yl)-11-[5,17-di(dibenzothiophen-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
SMILESCC1(C)c2cc(-c3ccc4oc5ccccc5c4c3)ccc2N2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3C(C)(C)c3cc(-c4cc5c6c(c4)C(C)(C)c4cc(-c7ccc8oc9ccccc9c8c7)ccc4N6c4ccc(-c6ccc7oc8ccccc8c7c6)cc4C5(C)C)cc1c32.CC1(C)c2cc(-c3ccc4sc5ccccc5c4c3)ccc2N2c3ccc(-c4ccc5sc6ccccc6c5c4)cc3C(C)(C)c3cc(-c4cc5c6c(c4)C(C)(C)c4cc(-c7ccc8sc9ccccc9c8c7)ccc4N6c4ccc(-c6ccc7sc8ccccc8c7c6)cc4C5(C)C)cc1c32.CC1(C)c2cc(-c3cccc4c3oc3ccccc34)ccc2N2c3ccc(-c4cccc5c4oc4ccccc45)cc3C(C)(C)c3cc(-c4cc5c6c(c4)C(C)(C)c4cc(-c7cccc8c7oc7ccccc78)ccc4N6c4ccc(-c6cccc7c6oc6ccccc67)cc4C5(C)C)cc1c32
InChIInChI=1S/2C96H68N2O4.C96H68N2S4/c1-93(2)71-45-53(59-25-17-29-67-63-21-9-13-33-83(63)99-89(59)67)37-41-79(71)97-80-42-38-54(60-26-18-30-68-64-22-10-14-34-84(64)100-90(60)68)46-72(80)94(3,4)76-50-57(49-75(93)87(76)97)58-51-77-88-78(52-58)96(7,8)74-48-56(62-28-20-32-70-66-24-12-16-36-86(66)102-92(62)70)40-44-82(74)98(88)81-43-39-55(47-73(81)95(77,5)6)61-27-19-31-69-65-23-11-15-35-85(65)101-91(61)69;2*1-93(2)71-45-57(53-29-37-87-67(41-53)63-17-9-13-21-83(63)99-87)25-33-79(71)97-80-34-26-58(54-30-38-88-68(42-54)64-18-10-14-22-84(64)100-88)46-72(80)94(3,4)76-50-61(49-75(93)91(76)97)62-51-77-92-78(52-62)96(7,8)74-48-60(56-32-40-90-70(44-56)66-20-12-16-24-86(66)102-90)28-36-82(74)98(92)81-35-27-59(47-73(81)95(77,5)6)55-31-39-89-69(43-55)65-19-11-15-23-85(65)101-89/h3*9-52H,1-8H3
InChIKeyJRBNNFNAKFOOLF-UHFFFAOYSA-N
XLogP83.22
TPSA124.56 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms306
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004005.10
LogP ≤ 583.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 5,17-di(dibenzofuran-2-yl)-11-[5,17-di(dibenzofuran-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-di(dibenzofuran-4-yl)-11-[5,17-di(dibenzofuran-4-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-di(dibenzothiophen-2-yl)-11-[5,17-di(dibenzothiophen-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene with MolForge

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Related Compounds

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6-dibenzothiophen-2-yl-2-[3-(4-phenylphenyl)phenyl]dibenzofuran
CID 118349956
10-dibenzofuran-2-yl-7,7-dimethylfluoreno[4,3-b][1]benzofuran;10-dibenzothiophen-2-yl-7,7-dimethylfluoreno[4,3-b][1]benzofuran;10-dibenzothiophen-4-yl-7,7-dimethylfluoreno[4,3-b][1]benzothiole;4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)dibenzofuran;10-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[4,3-b][1]benzothiole
CID 159241680
2-(9,9-dimethylfluoren-2-yl)triphenylene;2-[3-(3,5-diphenylphenyl)phenyl]triphenylene;2-(3,5-diphenylphenyl)triphenylene;2-[3-(3-phenylphenyl)phenyl]triphenylene;2-(3-phenylphenyl)triphenylene;9-triphenylen-2-ylcarbazole;2-triphenylen-2-yldibenzofuran;4-triphenylen-2-yldibenzofuran;2-triphenylen-2-yldibenzothiophene;4-triphenylen-2-yldibenzothiophene
CID 158307851
3-dibenzofuran-2-yl-9-triphenylen-2-ylcarbazole;3-dibenzofuran-4-yl-9-triphenylen-2-ylcarbazole;3-dibenzofuran-2-yl-9-(3-triphenylen-2-ylphenyl)carbazole;3-dibenzothiophen-2-yl-9-triphenylen-2-ylcarbazole;3-dibenzothiophen-2-yl-9-(3-triphenylen-2-ylphenyl)carbazole;3-(9,9-dimethylfluoren-2-yl)-9-triphenylen-2-ylcarbazole;3-(9,9-dimethylfluoren-3-yl)-9-triphenylen-2-ylcarbazole;3-(9,9-dimethylfluoren-3-yl)-9-(3-triphenylen-2-ylphenyl)carbazole
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CID 162172861
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4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-dibenzothiophen-2-yl-6-(9,9-dimethylfluoren-4-yl)pyrimidine
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2-(10-dibenzofuran-4-yl-9,9-dimethylacridin-2-yl)-9,9-dimethyl-10-naphthalen-1-ylacridine;2-[10-(4-dibenzofuran-4-ylphenyl)-9,9-dimethylacridin-2-yl]-9,9-dimethyl-10-naphthalen-2-ylacridine;2-[10-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethylacridin-2-yl]-9,9-dimethyl-10-phenylacridine;2-[10-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethylacridin-2-yl]-9,9-dimethyl-10-phenylacridine
CID 160700685
2-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)dibenzofuran
CID 137466525
2-(8-dibenzofuran-4-yldibenzofuran-2-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazinane
CID 146542068
N,N-bis[4-(4-dibenzothiophen-2-ylphenyl)phenyl]triphenylen-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]triphenylen-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]triphenylen-2-amine
CID 157196864

Frequently Asked Questions

What is the IUPAC name of 5,17-di(dibenzofuran-2-yl)-11-[5,17-di(dibenzofuran-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-di(dibenzofuran-4-yl)-11-[5,17-di(dibenzofuran-4-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-di(dibenzothiophen-2-yl)-11-[5,17-di(dibenzothiophen-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?
The IUPAC name of 5,17-di(dibenzofuran-2-yl)-11-[5,17-di(dibenzofuran-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-di(dibenzofuran-4-yl)-11-[5,17-di(dibenzofuran-4-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-di(dibenzothiophen-2-yl)-11-[5,17-di(dibenzothiophen-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (CID 158998708) is 5,17-di(dibenzofuran-2-yl)-11-[5,17-di(dibenzofuran-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-di(dibenzofuran-4-yl)-11-[5,17-di(dibenzofuran-4-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-di(dibenzothiophen-2-yl)-11-[5,17-di(dibenzothiophen-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene.
What is the SMILES notation for 5,17-di(dibenzofuran-2-yl)-11-[5,17-di(dibenzofuran-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-di(dibenzofuran-4-yl)-11-[5,17-di(dibenzofuran-4-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-di(dibenzothiophen-2-yl)-11-[5,17-di(dibenzothiophen-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?
The canonical SMILES for 5,17-di(dibenzofuran-2-yl)-11-[5,17-di(dibenzofuran-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-di(dibenzofuran-4-yl)-11-[5,17-di(dibenzofuran-4-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-di(dibenzothiophen-2-yl)-11-[5,17-di(dibenzothiophen-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene is CC1(C)c2cc(-c3ccc4oc5ccccc5c4c3)ccc2N2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3C(C)(C)c3cc(-c4cc5c6c(c4)C(C)(C)c4cc(-c7ccc8oc9ccccc9c8c7)ccc4N6c4ccc(-c6ccc7oc8ccccc8c7c6)cc4C5(C)C)cc1c32.CC1(C)c2cc(-c3ccc4sc5ccccc5c4c3)ccc2N2c3ccc(-c4ccc5sc6ccccc6c5c4)cc3C(C)(C)c3cc(-c4cc5c6c(c4)C(C)(C)c4cc(-c7ccc8sc9ccccc9c8c7)ccc4N6c4ccc(-c6ccc7sc8ccccc8c7c6)cc4C5(C)C)cc1c32.CC1(C)c2cc(-c3cccc4c3oc3ccccc34)ccc2N2c3ccc(-c4cccc5c4oc4ccccc45)cc3C(C)(C)c3cc(-c4cc5c6c(c4)C(C)(C)c4cc(-c7cccc8c7oc7ccccc78)ccc4N6c4ccc(-c6cccc7c6oc6ccccc67)cc4C5(C)C)cc1c32.
What is the InChIKey of 5,17-di(dibenzofuran-2-yl)-11-[5,17-di(dibenzofuran-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-di(dibenzofuran-4-yl)-11-[5,17-di(dibenzofuran-4-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-di(dibenzothiophen-2-yl)-11-[5,17-di(dibenzothiophen-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?
The InChIKey is JRBNNFNAKFOOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C96H68N2O4.C96H68N2S4/c1-93(2)71-45-53(59-25-17-29-67-63-21-9-13-33-83(63)99-89(59)67)37-41-79(71)97-80-42-38-54(60-26-18-30-68-64-22-10-14-34-84(64)100-90(60)68)46-72(80)94(3,4)76-50-57(49-75(93)87(76)97)58-51-77-88-78(52-58)96(7,8)74-48-56(62-28-20-32-70-66-24-12-16-36-86(66)102-92(62)70)40-44-82(74)98(88)81-43-39-55(47-73(81)95(77,5)6)61-27-19-31-69-65-23-11-15-35-85(65)101-91(61)69;2*1-93(2)71-45-57(53-29-37-87-67(41-53)63-17-9-13-21-83(63)99-87)25-33-79(71)97-80-34-26-58(54-30-38-88-68(42-54)64-18-10-14-22-84(64)100-88)46-72(80)94(3,4)76-50-61(49-75(93)91(76)97)62-51-77-92-78(52-62)96(7,8)74-48-60(56-32-40-90-70(44-56)66-20-12-16-24-86(66)102-90)28-36-82(74)98(92)81-35-27-59(47-73(81)95(77,5)6)55-31-39-89-69(43-55)65-19-11-15-23-85(65)101-89/h3*9-52H,1-8H3.
What are the key properties of 5,17-di(dibenzofuran-2-yl)-11-[5,17-di(dibenzofuran-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-di(dibenzofuran-4-yl)-11-[5,17-di(dibenzofuran-4-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-di(dibenzothiophen-2-yl)-11-[5,17-di(dibenzothiophen-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?
5,17-di(dibenzofuran-2-yl)-11-[5,17-di(dibenzofuran-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-di(dibenzofuran-4-yl)-11-[5,17-di(dibenzofuran-4-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-di(dibenzothiophen-2-yl)-11-[5,17-di(dibenzothiophen-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene has a molecular weight of 4005.10 g/mol, XLogP of 83.22, 15 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5,17-di(dibenzofuran-2-yl)-11-[5,17-di(dibenzofuran-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-di(dibenzofuran-4-yl)-11-[5,17-di(dibenzofuran-4-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,17-di(dibenzothiophen-2-yl)-11-[5,17-di(dibenzothiophen-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene is sourced from PubChem (CID 158998708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).