5-[4,6-bis(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-10-yl)-1,3,5-triazin-2-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[4,6-bis(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-1,3,5-triazin-2-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-5-[4-phenyl-6-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-1,3,5-triazin-2-yl]-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene

C201H157N17 — CID 158216834

IUPAC5-[4,6-bis(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-10-yl)-1,3,5-triazin-2-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[4,6-bis(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-1,3,5-triazin-2-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-5-[4-phenyl-6-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-1,3,5-triazin-2-yl]-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
SMILESCC1(C)c2cccc3c2-n2c4c1cccc4c1cc(-c4nc(-c5cc6c7c(c5)c5cccc8c5n7-c5c(cccc5C6(C)C)C8(C)C)nc(-c5cc6c7c(c5)c5cccc8c5n7-c5c(cccc5C6(C)C)C8(C)C)n4)cc(c12)C3(C)C.CC1(C)c2cccc3c2-n2c4c1cccc4c1cc(-c4nc(-c5ccccc5)nc(-c5cc6c7c(c5)c5cccc8c5n7-c5c(cccc5C6(C)C)C8(C)C)n4)cc(c12)C3(C)C.CC1(C)c2ccccc2-n2c3ccccc3c3cc(-c4nc(-c5cc6c7c(c5)c5ccccc5n7-c5ccccc5C6(C)C)nc(-c5cc6c7c(c5)c5cccc8c5n7-c5c(cccc5C6(C)C)C8(C)C)n4)cc1c32
InChIInChI=1S/C75H60N6.C69H52N6.C57H45N5/c1-70(2)46-22-13-19-40-43-31-37(34-55-61(43)79(58(40)46)64-49(70)25-16-28-52(64)73(55,7)8)67-76-68(38-32-44-41-20-14-23-47-59(41)80-62(44)56(35-38)74(9,10)53-29-17-26-50(65(53)80)71(47,3)4)78-69(77-67)39-33-45-42-21-15-24-48-60(42)81-63(45)57(36-39)75(11,12)54-30-18-27-51(66(54)81)72(48,5)6;1-66(2)46-22-11-15-29-56(46)73-54-27-13-9-19-40(54)43-31-37(34-51(66)59(43)73)63-70-64(38-32-44-41-20-10-14-28-55(41)74-57-30-16-12-23-47(57)67(3,4)52(35-38)60(44)74)72-65(71-63)39-33-45-42-21-17-24-48-58(42)75-61(45)53(36-39)69(7,8)50-26-18-25-49(62(50)75)68(48,5)6;1-54(2)37-20-12-18-33-35-26-31(28-43-47(35)61(45(33)37)49-39(54)22-14-24-41(49)56(43,5)6)52-58-51(30-16-10-9-11-17-30)59-53(60-52)32-27-36-34-19-13-21-38-46(34)62-48(36)44(29-32)57(7,8)42-25-15-23-40(50(42)62)55(38,3)4/h13-36H,1-12H3;9-36H,1-8H3;9-29H,1-8H3
InChIKeyGCTHWBWDJJIWTR-UHFFFAOYSA-N
MW2810.59 g/mol
LogP48.34
Rot. Bonds9

About 5-[4,6-bis(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-10-yl)-1,3,5-triazin-2-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[4,6-bis(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-1,3,5-triazin-2-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-5-[4-phenyl-6-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-1,3,5-triazin-2-yl]-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene

5-[4,6-bis(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-10-yl)-1,3,5-triazin-2-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[4,6-bis(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-1,3,5-triazin-2-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-5-[4-phenyl-6-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-1,3,5-triazin-2-yl]-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene (PubChem CID 158216834) has the molecular formula C201H157N17 and a molecular weight of 2810.59 g/mol. Its IUPAC name is 5-[4,6-bis(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-10-yl)-1,3,5-triazin-2-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[4,6-bis(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-1,3,5-triazin-2-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-5-[4-phenyl-6-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-1,3,5-triazin-2-yl]-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene.

Molecular Properties

Compound Name5-[4,6-bis(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-10-yl)-1,3,5-triazin-2-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[4,6-bis(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-1,3,5-triazin-2-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-5-[4-phenyl-6-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-1,3,5-triazin-2-yl]-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
PubChem CID158216834
Molecular FormulaC201H157N17
Molecular Weight2810.59 g/mol
Exact Mass2808.28
IUPAC Name5-[4,6-bis(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-10-yl)-1,3,5-triazin-2-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[4,6-bis(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-1,3,5-triazin-2-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-5-[4-phenyl-6-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-1,3,5-triazin-2-yl]-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
SMILESCC1(C)c2cccc3c2-n2c4c1cccc4c1cc(-c4nc(-c5cc6c7c(c5)c5cccc8c5n7-c5c(cccc5C6(C)C)C8(C)C)nc(-c5cc6c7c(c5)c5cccc8c5n7-c5c(cccc5C6(C)C)C8(C)C)n4)cc(c12)C3(C)C.CC1(C)c2cccc3c2-n2c4c1cccc4c1cc(-c4nc(-c5ccccc5)nc(-c5cc6c7c(c5)c5cccc8c5n7-c5c(cccc5C6(C)C)C8(C)C)n4)cc(c12)C3(C)C.CC1(C)c2ccccc2-n2c3ccccc3c3cc(-c4nc(-c5cc6c7c(c5)c5ccccc5n7-c5ccccc5C6(C)C)nc(-c5cc6c7c(c5)c5cccc8c5n7-c5c(cccc5C6(C)C)C8(C)C)n4)cc1c32
InChIInChI=1S/C75H60N6.C69H52N6.C57H45N5/c1-70(2)46-22-13-19-40-43-31-37(34-55-61(43)79(58(40)46)64-49(70)25-16-28-52(64)73(55,7)8)67-76-68(38-32-44-41-20-14-23-47-59(41)80-62(44)56(35-38)74(9,10)53-29-17-26-50(65(53)80)71(47,3)4)78-69(77-67)39-33-45-42-21-15-24-48-60(42)81-63(45)57(36-39)75(11,12)54-30-18-27-51(66(54)81)72(48,5)6;1-66(2)46-22-11-15-29-56(46)73-54-27-13-9-19-40(54)43-31-37(34-51(66)59(43)73)63-70-64(38-32-44-41-20-10-14-28-55(41)74-57-30-16-12-23-47(57)67(3,4)52(35-38)60(44)74)72-65(71-63)39-33-45-42-21-17-24-48-58(42)75-61(45)53(36-39)69(7,8)50-26-18-25-49(62(50)75)68(48,5)6;1-54(2)37-20-12-18-33-35-26-31(28-43-47(35)61(45(33)37)49-39(54)22-14-24-41(49)56(43,5)6)52-58-51(30-16-10-9-11-17-30)59-53(60-52)32-27-36-34-19-13-21-38-46(34)62-48(36)44(29-32)57(7,8)42-25-15-23-40(50(42)62)55(38,3)4/h13-36H,1-12H3;9-36H,1-8H3;9-29H,1-8H3
InChIKeyGCTHWBWDJJIWTR-UHFFFAOYSA-N
XLogP48.34
TPSA155.45 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds9
Heavy Atoms218
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002810.59
LogP ≤ 548.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 5-[4,6-bis(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-10-yl)-1,3,5-triazin-2-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[4,6-bis(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-1,3,5-triazin-2-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-5-[4-phenyl-6-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-1,3,5-triazin-2-yl]-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4,6-bis(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-10-yl)-1,3,5-triazin-2-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[4,6-bis(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-1,3,5-triazin-2-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-5-[4-phenyl-6-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-1,3,5-triazin-2-yl]-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The IUPAC name of 5-[4,6-bis(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-10-yl)-1,3,5-triazin-2-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[4,6-bis(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-1,3,5-triazin-2-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-5-[4-phenyl-6-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-1,3,5-triazin-2-yl]-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene (CID 158216834) is 5-[4,6-bis(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-10-yl)-1,3,5-triazin-2-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[4,6-bis(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-1,3,5-triazin-2-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-5-[4-phenyl-6-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-1,3,5-triazin-2-yl]-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene.
What is the SMILES notation for 5-[4,6-bis(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-10-yl)-1,3,5-triazin-2-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[4,6-bis(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-1,3,5-triazin-2-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-5-[4-phenyl-6-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-1,3,5-triazin-2-yl]-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The canonical SMILES for 5-[4,6-bis(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-10-yl)-1,3,5-triazin-2-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[4,6-bis(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-1,3,5-triazin-2-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-5-[4-phenyl-6-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-1,3,5-triazin-2-yl]-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene is CC1(C)c2cccc3c2-n2c4c1cccc4c1cc(-c4nc(-c5cc6c7c(c5)c5cccc8c5n7-c5c(cccc5C6(C)C)C8(C)C)nc(-c5cc6c7c(c5)c5cccc8c5n7-c5c(cccc5C6(C)C)C8(C)C)n4)cc(c12)C3(C)C.CC1(C)c2cccc3c2-n2c4c1cccc4c1cc(-c4nc(-c5ccccc5)nc(-c5cc6c7c(c5)c5cccc8c5n7-c5c(cccc5C6(C)C)C8(C)C)n4)cc(c12)C3(C)C.CC1(C)c2ccccc2-n2c3ccccc3c3cc(-c4nc(-c5cc6c7c(c5)c5ccccc5n7-c5ccccc5C6(C)C)nc(-c5cc6c7c(c5)c5cccc8c5n7-c5c(cccc5C6(C)C)C8(C)C)n4)cc1c32.
What is the InChIKey of 5-[4,6-bis(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-10-yl)-1,3,5-triazin-2-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[4,6-bis(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-1,3,5-triazin-2-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-5-[4-phenyl-6-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-1,3,5-triazin-2-yl]-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The InChIKey is GCTHWBWDJJIWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H60N6.C69H52N6.C57H45N5/c1-70(2)46-22-13-19-40-43-31-37(34-55-61(43)79(58(40)46)64-49(70)25-16-28-52(64)73(55,7)8)67-76-68(38-32-44-41-20-14-23-47-59(41)80-62(44)56(35-38)74(9,10)53-29-17-26-50(65(53)80)71(47,3)4)78-69(77-67)39-33-45-42-21-15-24-48-60(42)81-63(45)57(36-39)75(11,12)54-30-18-27-51(66(54)81)72(48,5)6;1-66(2)46-22-11-15-29-56(46)73-54-27-13-9-19-40(54)43-31-37(34-51(66)59(43)73)63-70-64(38-32-44-41-20-10-14-28-55(41)74-57-30-16-12-23-47(57)67(3,4)52(35-38)60(44)74)72-65(71-63)39-33-45-42-21-17-24-48-58(42)75-61(45)53(36-39)69(7,8)50-26-18-25-49(62(50)75)68(48,5)6;1-54(2)37-20-12-18-33-35-26-31(28-43-47(35)61(45(33)37)49-39(54)22-14-24-41(49)56(43,5)6)52-58-51(30-16-10-9-11-17-30)59-53(60-52)32-27-36-34-19-13-21-38-46(34)62-48(36)44(29-32)57(7,8)42-25-15-23-40(50(42)62)55(38,3)4/h13-36H,1-12H3;9-36H,1-8H3;9-29H,1-8H3.
What are the key properties of 5-[4,6-bis(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-10-yl)-1,3,5-triazin-2-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[4,6-bis(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-1,3,5-triazin-2-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-5-[4-phenyl-6-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-1,3,5-triazin-2-yl]-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?
5-[4,6-bis(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-10-yl)-1,3,5-triazin-2-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[4,6-bis(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-1,3,5-triazin-2-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-5-[4-phenyl-6-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-1,3,5-triazin-2-yl]-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene has a molecular weight of 2810.59 g/mol, XLogP of 48.34, 9 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4,6-bis(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-10-yl)-1,3,5-triazin-2-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[4,6-bis(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-1,3,5-triazin-2-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-5-[4-phenyl-6-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-1,3,5-triazin-2-yl]-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene is sourced from PubChem (CID 158216834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).