8,8,14,14-tetramethyl-11-[8-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzofuran-2-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-[6-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzothiophen-4-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-[6-[6-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-[6-[6-[6-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]dibenzothiophen-4-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene

C276H218N8OS6 — CID 162172861

IUPAC8,8,14,14-tetramethyl-11-[8-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzofuran-2-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-[6-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzothiophen-4-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-[6-[6-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-[6-[6-[6-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]dibenzothiophen-4-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
SMILESCC1(C)c2ccccc2N2c3ccccc3C(C)(C)c3cc(-c4ccc5oc6ccc(-c7cc8c9c(c7)C(C)(C)c7ccccc7N9c7ccccc7C8(C)C)cc6c5c4)cc1c32.CC1(C)c2ccccc2N2c3ccccc3C(C)(C)c3cc(-c4cccc5c4sc4c(-c6cc7c8c(c6)C(C)(C)c6ccccc6N8c6ccccc6C7(C)C)cccc45)cc1c32.CC1(C)c2ccccc2N2c3ccccc3C(C)(C)c3cc(-c4cccc5c4sc4c(-c6cccc7c6sc6c(-c8cc9c%10c(c8)C(C)(C)c8ccccc8N%10c8ccccc8C9(C)C)cccc67)cccc45)cc1c32.CC1(C)c2ccccc2N2c3ccccc3C(C)(C)c3cc(-c4cccc5c4sc4c(-c6cccc7c6sc6c(-c8cccc9c8sc8c(-c%10cc%11c%12c(c%10)C(C)(C)c%10ccccc%10N%12c%10ccccc%10C%11(C)C)cccc89)cccc67)cccc45)cc1c32
InChIInChI=1S/C84H62N2S3.C72H56N2S2.C60H50N2O.C60H50N2S/c1-81(2)61-35-9-13-39-69(61)85-70-40-14-10-36-62(70)82(3,4)66-44-47(43-65(81)73(66)85)49-23-17-25-51-53-27-19-29-55(77(53)87-75(49)51)57-31-21-33-59-60-34-22-32-58(80(60)89-79(57)59)56-30-20-28-54-52-26-18-24-50(76(52)88-78(54)56)48-45-67-74-68(46-48)84(7,8)64-38-12-16-42-72(64)86(74)71-41-15-11-37-63(71)83(67,5)6;1-69(2)51-29-9-13-33-59(51)73-60-34-14-10-30-52(60)70(3,4)56-38-41(37-55(69)63(56)73)43-21-17-23-45-47-25-19-27-49(67(47)75-65(43)45)50-28-20-26-48-46-24-18-22-44(66(46)76-68(48)50)42-39-57-64-58(40-42)72(7,8)54-32-12-16-36-62(54)74(64)61-35-15-11-31-53(61)71(57,5)6;1-57(2)41-17-9-13-21-49(41)61-50-22-14-10-18-42(50)58(3,4)46-32-37(31-45(57)55(46)61)35-25-27-53-39(29-35)40-30-36(26-28-54(40)63-53)38-33-47-56-48(34-38)60(7,8)44-20-12-16-24-52(44)62(56)51-23-15-11-19-43(51)59(47,5)6;1-57(2)41-23-9-13-27-49(41)61-50-28-14-10-24-42(50)58(3,4)46-32-35(31-45(57)53(46)61)37-19-17-21-39-40-22-18-20-38(56(40)63-55(37)39)36-33-47-54-48(34-36)60(7,8)44-26-12-16-30-52(44)62(54)51-29-15-11-25-43(51)59(47,5)6/h9-46H,1-8H3;9-40H,1-8H3;2*9-34H,1-8H3
InChIKeyZOAAPQSRGVAAQG-UHFFFAOYSA-N
MW3855.24 g/mol
LogP79.18
Rot. Bonds11

About 8,8,14,14-tetramethyl-11-[8-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzofuran-2-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-[6-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzothiophen-4-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-[6-[6-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-[6-[6-[6-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]dibenzothiophen-4-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene

8,8,14,14-tetramethyl-11-[8-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzofuran-2-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-[6-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzothiophen-4-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-[6-[6-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-[6-[6-[6-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]dibenzothiophen-4-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene (PubChem CID 162172861) has the molecular formula C276H218N8OS6 and a molecular weight of 3855.24 g/mol. Its IUPAC name is 8,8,14,14-tetramethyl-11-[8-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzofuran-2-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-[6-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzothiophen-4-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-[6-[6-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-[6-[6-[6-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]dibenzothiophen-4-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene.

Molecular Properties

Compound Name8,8,14,14-tetramethyl-11-[8-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzofuran-2-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-[6-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzothiophen-4-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-[6-[6-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-[6-[6-[6-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]dibenzothiophen-4-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
PubChem CID162172861
Molecular FormulaC276H218N8OS6
Molecular Weight3855.24 g/mol
Exact Mass3851.56
IUPAC Name8,8,14,14-tetramethyl-11-[8-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzofuran-2-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-[6-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzothiophen-4-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-[6-[6-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-[6-[6-[6-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]dibenzothiophen-4-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
SMILESCC1(C)c2ccccc2N2c3ccccc3C(C)(C)c3cc(-c4ccc5oc6ccc(-c7cc8c9c(c7)C(C)(C)c7ccccc7N9c7ccccc7C8(C)C)cc6c5c4)cc1c32.CC1(C)c2ccccc2N2c3ccccc3C(C)(C)c3cc(-c4cccc5c4sc4c(-c6cc7c8c(c6)C(C)(C)c6ccccc6N8c6ccccc6C7(C)C)cccc45)cc1c32.CC1(C)c2ccccc2N2c3ccccc3C(C)(C)c3cc(-c4cccc5c4sc4c(-c6cccc7c6sc6c(-c8cc9c%10c(c8)C(C)(C)c8ccccc8N%10c8ccccc8C9(C)C)cccc67)cccc45)cc1c32.CC1(C)c2ccccc2N2c3ccccc3C(C)(C)c3cc(-c4cccc5c4sc4c(-c6cccc7c6sc6c(-c8cccc9c8sc8c(-c%10cc%11c%12c(c%10)C(C)(C)c%10ccccc%10N%12c%10ccccc%10C%11(C)C)cccc89)cccc67)cccc45)cc1c32
InChIInChI=1S/C84H62N2S3.C72H56N2S2.C60H50N2O.C60H50N2S/c1-81(2)61-35-9-13-39-69(61)85-70-40-14-10-36-62(70)82(3,4)66-44-47(43-65(81)73(66)85)49-23-17-25-51-53-27-19-29-55(77(53)87-75(49)51)57-31-21-33-59-60-34-22-32-58(80(60)89-79(57)59)56-30-20-28-54-52-26-18-24-50(76(52)88-78(54)56)48-45-67-74-68(46-48)84(7,8)64-38-12-16-42-72(64)86(74)71-41-15-11-37-63(71)83(67,5)6;1-69(2)51-29-9-13-33-59(51)73-60-34-14-10-30-52(60)70(3,4)56-38-41(37-55(69)63(56)73)43-21-17-23-45-47-25-19-27-49(67(47)75-65(43)45)50-28-20-26-48-46-24-18-22-44(66(46)76-68(48)50)42-39-57-64-58(40-42)72(7,8)54-32-12-16-36-62(54)74(64)61-35-15-11-31-53(61)71(57,5)6;1-57(2)41-17-9-13-21-49(41)61-50-22-14-10-18-42(50)58(3,4)46-32-37(31-45(57)55(46)61)35-25-27-53-39(29-35)40-30-36(26-28-54(40)63-53)38-33-47-56-48(34-38)60(7,8)44-20-12-16-24-52(44)62(56)51-23-15-11-19-43(51)59(47,5)6;1-57(2)41-23-9-13-27-49(41)61-50-28-14-10-24-42(50)58(3,4)46-32-35(31-45(57)53(46)61)37-19-17-21-39-40-22-18-20-38(56(40)63-55(37)39)36-33-47-54-48(34-36)60(7,8)44-26-12-16-30-52(44)62(54)51-29-15-11-25-43(51)59(47,5)6/h9-46H,1-8H3;9-40H,1-8H3;2*9-34H,1-8H3
InChIKeyZOAAPQSRGVAAQG-UHFFFAOYSA-N
XLogP79.18
TPSA39.06 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms291
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003855.24
LogP ≤ 579.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 8,8,14,14-tetramethyl-11-[8-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzofuran-2-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-[6-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzothiophen-4-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-[6-[6-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-[6-[6-[6-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]dibenzothiophen-4-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene with MolForge

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What is the IUPAC name of 8,8,14,14-tetramethyl-11-[8-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzofuran-2-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-[6-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzothiophen-4-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-[6-[6-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-[6-[6-[6-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]dibenzothiophen-4-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The IUPAC name of 8,8,14,14-tetramethyl-11-[8-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzofuran-2-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-[6-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzothiophen-4-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-[6-[6-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-[6-[6-[6-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]dibenzothiophen-4-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene (CID 162172861) is 8,8,14,14-tetramethyl-11-[8-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzofuran-2-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-[6-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzothiophen-4-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-[6-[6-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-[6-[6-[6-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]dibenzothiophen-4-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene.
What is the SMILES notation for 8,8,14,14-tetramethyl-11-[8-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzofuran-2-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-[6-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzothiophen-4-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-[6-[6-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-[6-[6-[6-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]dibenzothiophen-4-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The canonical SMILES for 8,8,14,14-tetramethyl-11-[8-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzofuran-2-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-[6-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzothiophen-4-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-[6-[6-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-[6-[6-[6-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]dibenzothiophen-4-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene is CC1(C)c2ccccc2N2c3ccccc3C(C)(C)c3cc(-c4ccc5oc6ccc(-c7cc8c9c(c7)C(C)(C)c7ccccc7N9c7ccccc7C8(C)C)cc6c5c4)cc1c32.CC1(C)c2ccccc2N2c3ccccc3C(C)(C)c3cc(-c4cccc5c4sc4c(-c6cc7c8c(c6)C(C)(C)c6ccccc6N8c6ccccc6C7(C)C)cccc45)cc1c32.CC1(C)c2ccccc2N2c3ccccc3C(C)(C)c3cc(-c4cccc5c4sc4c(-c6cccc7c6sc6c(-c8cc9c%10c(c8)C(C)(C)c8ccccc8N%10c8ccccc8C9(C)C)cccc67)cccc45)cc1c32.CC1(C)c2ccccc2N2c3ccccc3C(C)(C)c3cc(-c4cccc5c4sc4c(-c6cccc7c6sc6c(-c8cccc9c8sc8c(-c%10cc%11c%12c(c%10)C(C)(C)c%10ccccc%10N%12c%10ccccc%10C%11(C)C)cccc89)cccc67)cccc45)cc1c32.
What is the InChIKey of 8,8,14,14-tetramethyl-11-[8-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzofuran-2-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-[6-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzothiophen-4-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-[6-[6-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-[6-[6-[6-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]dibenzothiophen-4-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The InChIKey is ZOAAPQSRGVAAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H62N2S3.C72H56N2S2.C60H50N2O.C60H50N2S/c1-81(2)61-35-9-13-39-69(61)85-70-40-14-10-36-62(70)82(3,4)66-44-47(43-65(81)73(66)85)49-23-17-25-51-53-27-19-29-55(77(53)87-75(49)51)57-31-21-33-59-60-34-22-32-58(80(60)89-79(57)59)56-30-20-28-54-52-26-18-24-50(76(52)88-78(54)56)48-45-67-74-68(46-48)84(7,8)64-38-12-16-42-72(64)86(74)71-41-15-11-37-63(71)83(67,5)6;1-69(2)51-29-9-13-33-59(51)73-60-34-14-10-30-52(60)70(3,4)56-38-41(37-55(69)63(56)73)43-21-17-23-45-47-25-19-27-49(67(47)75-65(43)45)50-28-20-26-48-46-24-18-22-44(66(46)76-68(48)50)42-39-57-64-58(40-42)72(7,8)54-32-12-16-36-62(54)74(64)61-35-15-11-31-53(61)71(57,5)6;1-57(2)41-17-9-13-21-49(41)61-50-22-14-10-18-42(50)58(3,4)46-32-37(31-45(57)55(46)61)35-25-27-53-39(29-35)40-30-36(26-28-54(40)63-53)38-33-47-56-48(34-38)60(7,8)44-20-12-16-24-52(44)62(56)51-23-15-11-19-43(51)59(47,5)6;1-57(2)41-23-9-13-27-49(41)61-50-28-14-10-24-42(50)58(3,4)46-32-35(31-45(57)53(46)61)37-19-17-21-39-40-22-18-20-38(56(40)63-55(37)39)36-33-47-54-48(34-36)60(7,8)44-26-12-16-30-52(44)62(54)51-29-15-11-25-43(51)59(47,5)6/h9-46H,1-8H3;9-40H,1-8H3;2*9-34H,1-8H3.
What are the key properties of 8,8,14,14-tetramethyl-11-[8-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzofuran-2-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-[6-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzothiophen-4-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-[6-[6-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-[6-[6-[6-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]dibenzothiophen-4-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?
8,8,14,14-tetramethyl-11-[8-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzofuran-2-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-[6-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzothiophen-4-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-[6-[6-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-[6-[6-[6-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]dibenzothiophen-4-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene has a molecular weight of 3855.24 g/mol, XLogP of 79.18, 11 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,14,14-tetramethyl-11-[8-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzofuran-2-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-[6-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzothiophen-4-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-[6-[6-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-[6-[6-[6-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]dibenzothiophen-4-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene is sourced from PubChem (CID 162172861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).