4-[2-(8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-8,13-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene;bis(10,12-diphenyl-1,9,10-triazatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8,11(14),12-hexaen-5-yl)-diphenylgermane;bis(10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-4-yl)-diphenylsilane;dimethyl-bis(10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-4-yl)silane;dimethyl-bis(12-methyl-10-oxa-1-azatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8,11(14),12-hexaen-5-yl)germane;[4-[diphenyl-(10-trimethylsilyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-4-yl)methyl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-10-yl]-trimethylsilane;triphenyl-[4-[2-(10-triphenylsilyl-6,8,12-triazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-4-yl)propan-2-yl]-6,8,12-triazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-10-yl]silane

C300H219F6Ge2N23O2Si6 — CID 157477470

IUPAC4-[2-(8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-8,13-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene;bis(10,12-diphenyl-1,9,10-triazatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8,11(14),12-hexaen-5-yl)-diphenylgermane;bis(10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-4-yl)-diphenylsilane;dimethyl-bis(10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-4-yl)silane;dimethyl-bis(12-methyl-10-oxa-1-azatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8,11(14),12-hexaen-5-yl)germane;[4-[diphenyl-(10-trimethylsilyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-4-yl)methyl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-10-yl]-trimethylsilane;triphenyl-[4-[2-(10-triphenylsilyl-6,8,12-triazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-4-yl)propan-2-yl]-6,8,12-triazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-10-yl]silane
SMILESCC(C)(c1cnc2c(c1)c1ccnc3c([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cn2c31)c1cnc2c(c1)c1ccnc3c([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cn2c31.C[Si](C)(C)c1cn2c3ccc(C(c4ccccc4)(c4ccccc4)c4ccc5c(c4)c4cccc6c([Si](C)(C)C)cn5c64)cc3c3cccc1c32.Cc1cn2c3ccc([Ge](C)(C)c4ccc5c(c4)c4coc6c(C)cn5c64)cc3c3coc1c32.Cc1cn2c3ccc([Si](C)(C)c4ccc5c(c4)c4cccc6c(C)cn5c64)cc3c3cccc1c32.Cc1cn2c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccc5c(c4)c4cccc6c(C)cn5c64)cc3c3cccc1c32.FC(F)(F)C(c1ccc2c(c1)c1cccc3ccn2c31)(c1ccc2c(c1)c1cncc3ccn2c31)C(F)(F)F.c1ccc(-c2cn3c4ccc([Ge](c5ccccc5)(c5ccccc5)c5ccc6c(c5)c5nn(-c7ccccc7)c7c(-c8ccccc8)cn6c57)cc4c4nn(-c5ccccc5)c2c43)cc1
InChIInChI=1S/C63H46N6Si2.C58H38GeN6.C47H42N2Si2.C42H30N2Si.C32H26N2Si.C30H15F6N3.C28H22GeN2O2/c1-63(2,43-37-53-51-33-35-64-57-55(41-68(59(51)57)61(53)66-39-43)70(45-21-9-3-10-22-45,46-23-11-4-12-24-46)47-25-13-5-14-26-47)44-38-54-52-34-36-65-58-56(42-69(60(52)58)62(54)67-40-44)71(48-27-15-6-16-28-48,49-29-17-7-18-30-49)50-31-19-8-20-32-50;1-7-19-39(20-8-1)49-37-62-51-33-31-43(35-47(51)53-57(62)55(49)64(60-53)45-27-15-5-16-28-45)59(41-23-11-3-12-24-41,42-25-13-4-14-26-42)44-32-34-52-48(36-44)54-58-56(65(61-54)46-29-17-6-18-30-46)50(38-63(52)58)40-21-9-2-10-22-40;1-50(2,3)43-29-48-41-25-23-33(27-39(41)35-19-13-21-37(43)45(35)48)47(31-15-9-7-10-16-31,32-17-11-8-12-18-32)34-24-26-42-40(28-34)36-20-14-22-38-44(51(4,5)6)30-49(42)46(36)38;1-27-25-43-39-21-19-31(23-37(39)35-17-9-15-33(27)41(35)43)45(29-11-5-3-6-12-29,30-13-7-4-8-14-30)32-20-22-40-38(24-32)36-18-10-16-34-28(2)26-44(40)42(34)36;1-19-17-33-29-13-11-21(15-27(29)25-9-5-7-23(19)31(25)33)35(3,4)22-12-14-30-28(16-22)26-10-6-8-24-20(2)18-34(30)32(24)26;31-29(32,33)28(30(34,35)36,18-4-6-24-21(12-18)20-3-1-2-16-8-10-38(24)26(16)20)19-5-7-25-22(13-19)23-15-37-14-17-9-11-39(25)27(17)23;1-15-11-30-23-7-5-17(9-19(23)21-13-32-27(15)25(21)30)29(3,4)18-6-8-24-20(10-18)22-14-33-28-16(2)12-31(24)26(22)28/h3-42H,1-2H3;1-38H;7-30H,1-6H3;3-26H,1-2H3;5-18H,1-4H3;1-15H;5-14H,1-4H3
InChIKeyBVTNCZAUPWRTOP-UHFFFAOYSA-N
MW4605.93 g/mol
LogP59.84
Rot. Bonds34

About 4-[2-(8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-8,13-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene;bis(10,12-diphenyl-1,9,10-triazatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8,11(14),12-hexaen-5-yl)-diphenylgermane;bis(10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-4-yl)-diphenylsilane;dimethyl-bis(10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-4-yl)silane;dimethyl-bis(12-methyl-10-oxa-1-azatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8,11(14),12-hexaen-5-yl)germane;[4-[diphenyl-(10-trimethylsilyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-4-yl)methyl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-10-yl]-trimethylsilane;triphenyl-[4-[2-(10-triphenylsilyl-6,8,12-triazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-4-yl)propan-2-yl]-6,8,12-triazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-10-yl]silane

4-[2-(8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-8,13-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene;bis(10,12-diphenyl-1,9,10-triazatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8,11(14),12-hexaen-5-yl)-diphenylgermane;bis(10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-4-yl)-diphenylsilane;dimethyl-bis(10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-4-yl)silane;dimethyl-bis(12-methyl-10-oxa-1-azatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8,11(14),12-hexaen-5-yl)germane;[4-[diphenyl-(10-trimethylsilyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-4-yl)methyl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-10-yl]-trimethylsilane;triphenyl-[4-[2-(10-triphenylsilyl-6,8,12-triazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-4-yl)propan-2-yl]-6,8,12-triazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-10-yl]silane (PubChem CID 157477470) has the molecular formula C300H219F6Ge2N23O2Si6 and a molecular weight of 4605.93 g/mol. Its IUPAC name is 4-[2-(8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-8,13-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene;bis(10,12-diphenyl-1,9,10-triazatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8,11(14),12-hexaen-5-yl)-diphenylgermane;bis(10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-4-yl)-diphenylsilane;dimethyl-bis(10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-4-yl)silane;dimethyl-bis(12-methyl-10-oxa-1-azatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8,11(14),12-hexaen-5-yl)germane;[4-[diphenyl-(10-trimethylsilyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-4-yl)methyl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-10-yl]-trimethylsilane;triphenyl-[4-[2-(10-triphenylsilyl-6,8,12-triazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-4-yl)propan-2-yl]-6,8,12-triazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-10-yl]silane.

Molecular Properties

Compound Name4-[2-(8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-8,13-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene;bis(10,12-diphenyl-1,9,10-triazatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8,11(14),12-hexaen-5-yl)-diphenylgermane;bis(10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-4-yl)-diphenylsilane;dimethyl-bis(10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-4-yl)silane;dimethyl-bis(12-methyl-10-oxa-1-azatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8,11(14),12-hexaen-5-yl)germane;[4-[diphenyl-(10-trimethylsilyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-4-yl)methyl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-10-yl]-trimethylsilane;triphenyl-[4-[2-(10-triphenylsilyl-6,8,12-triazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-4-yl)propan-2-yl]-6,8,12-triazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-10-yl]silane
PubChem CID157477470
Molecular FormulaC300H219F6Ge2N23O2Si6
Molecular Weight4605.93 g/mol
Exact Mass4604.47
IUPAC Name4-[2-(8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-8,13-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene;bis(10,12-diphenyl-1,9,10-triazatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8,11(14),12-hexaen-5-yl)-diphenylgermane;bis(10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-4-yl)-diphenylsilane;dimethyl-bis(10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-4-yl)silane;dimethyl-bis(12-methyl-10-oxa-1-azatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8,11(14),12-hexaen-5-yl)germane;[4-[diphenyl-(10-trimethylsilyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-4-yl)methyl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-10-yl]-trimethylsilane;triphenyl-[4-[2-(10-triphenylsilyl-6,8,12-triazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-4-yl)propan-2-yl]-6,8,12-triazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-10-yl]silane
SMILESCC(C)(c1cnc2c(c1)c1ccnc3c([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cn2c31)c1cnc2c(c1)c1ccnc3c([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cn2c31.C[Si](C)(C)c1cn2c3ccc(C(c4ccccc4)(c4ccccc4)c4ccc5c(c4)c4cccc6c([Si](C)(C)C)cn5c64)cc3c3cccc1c32.Cc1cn2c3ccc([Ge](C)(C)c4ccc5c(c4)c4coc6c(C)cn5c64)cc3c3coc1c32.Cc1cn2c3ccc([Si](C)(C)c4ccc5c(c4)c4cccc6c(C)cn5c64)cc3c3cccc1c32.Cc1cn2c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccc5c(c4)c4cccc6c(C)cn5c64)cc3c3cccc1c32.FC(F)(F)C(c1ccc2c(c1)c1cccc3ccn2c31)(c1ccc2c(c1)c1cncc3ccn2c31)C(F)(F)F.c1ccc(-c2cn3c4ccc([Ge](c5ccccc5)(c5ccccc5)c5ccc6c(c5)c5nn(-c7ccccc7)c7c(-c8ccccc8)cn6c57)cc4c4nn(-c5ccccc5)c2c43)cc1
InChIInChI=1S/C63H46N6Si2.C58H38GeN6.C47H42N2Si2.C42H30N2Si.C32H26N2Si.C30H15F6N3.C28H22GeN2O2/c1-63(2,43-37-53-51-33-35-64-57-55(41-68(59(51)57)61(53)66-39-43)70(45-21-9-3-10-22-45,46-23-11-4-12-24-46)47-25-13-5-14-26-47)44-38-54-52-34-36-65-58-56(42-69(60(52)58)62(54)67-40-44)71(48-27-15-6-16-28-48,49-29-17-7-18-30-49)50-31-19-8-20-32-50;1-7-19-39(20-8-1)49-37-62-51-33-31-43(35-47(51)53-57(62)55(49)64(60-53)45-27-15-5-16-28-45)59(41-23-11-3-12-24-41,42-25-13-4-14-26-42)44-32-34-52-48(36-44)54-58-56(65(61-54)46-29-17-6-18-30-46)50(38-63(52)58)40-21-9-2-10-22-40;1-50(2,3)43-29-48-41-25-23-33(27-39(41)35-19-13-21-37(43)45(35)48)47(31-15-9-7-10-16-31,32-17-11-8-12-18-32)34-24-26-42-40(28-34)36-20-14-22-38-44(51(4,5)6)30-49(42)46(36)38;1-27-25-43-39-21-19-31(23-37(39)35-17-9-15-33(27)41(35)43)45(29-11-5-3-6-12-29,30-13-7-4-8-14-30)32-20-22-40-38(24-32)36-18-10-16-34-28(2)26-44(40)42(34)36;1-19-17-33-29-13-11-21(15-27(29)25-9-5-7-23(19)31(25)33)35(3,4)22-12-14-30-28(16-22)26-10-6-8-24-20(2)18-34(30)32(24)26;31-29(32,33)28(30(34,35)36,18-4-6-24-21(12-18)20-3-1-2-16-8-10-38(24)26(16)20)19-5-7-25-22(13-19)23-15-37-14-17-9-11-39(25)27(17)23;1-15-11-30-23-7-5-17(9-19(23)21-13-32-27(15)25(21)30)29(3,4)18-6-8-24-20(10-18)22-14-33-28-16(2)12-31(24)26(22)28/h3-42H,1-2H3;1-38H;7-30H,1-6H3;3-26H,1-2H3;5-18H,1-4H3;1-15H;5-14H,1-4H3
InChIKeyBVTNCZAUPWRTOP-UHFFFAOYSA-N
XLogP59.84
TPSA188.11 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds34
Heavy Atoms339
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004605.93
LogP ≤ 559.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 4-[2-(8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-8,13-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene;bis(10,12-diphenyl-1,9,10-triazatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8,11(14),12-hexaen-5-yl)-diphenylgermane;bis(10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-4-yl)-diphenylsilane;dimethyl-bis(10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-4-yl)silane;dimethyl-bis(12-methyl-10-oxa-1-azatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8,11(14),12-hexaen-5-yl)germane;[4-[diphenyl-(10-trimethylsilyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-4-yl)methyl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-10-yl]-trimethylsilane;triphenyl-[4-[2-(10-triphenylsilyl-6,8,12-triazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-4-yl)propan-2-yl]-6,8,12-triazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-10-yl]silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-8,13-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene;bis(10,12-diphenyl-1,9,10-triazatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8,11(14),12-hexaen-5-yl)-diphenylgermane;bis(10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-4-yl)-diphenylsilane;dimethyl-bis(10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-4-yl)silane;dimethyl-bis(12-methyl-10-oxa-1-azatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8,11(14),12-hexaen-5-yl)germane;[4-[diphenyl-(10-trimethylsilyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-4-yl)methyl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-10-yl]-trimethylsilane;triphenyl-[4-[2-(10-triphenylsilyl-6,8,12-triazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-4-yl)propan-2-yl]-6,8,12-triazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-10-yl]silane?
The IUPAC name of 4-[2-(8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-8,13-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene;bis(10,12-diphenyl-1,9,10-triazatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8,11(14),12-hexaen-5-yl)-diphenylgermane;bis(10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-4-yl)-diphenylsilane;dimethyl-bis(10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-4-yl)silane;dimethyl-bis(12-methyl-10-oxa-1-azatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8,11(14),12-hexaen-5-yl)germane;[4-[diphenyl-(10-trimethylsilyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-4-yl)methyl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-10-yl]-trimethylsilane;triphenyl-[4-[2-(10-triphenylsilyl-6,8,12-triazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-4-yl)propan-2-yl]-6,8,12-triazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-10-yl]silane (CID 157477470) is 4-[2-(8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-8,13-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene;bis(10,12-diphenyl-1,9,10-triazatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8,11(14),12-hexaen-5-yl)-diphenylgermane;bis(10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-4-yl)-diphenylsilane;dimethyl-bis(10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-4-yl)silane;dimethyl-bis(12-methyl-10-oxa-1-azatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8,11(14),12-hexaen-5-yl)germane;[4-[diphenyl-(10-trimethylsilyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-4-yl)methyl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-10-yl]-trimethylsilane;triphenyl-[4-[2-(10-triphenylsilyl-6,8,12-triazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-4-yl)propan-2-yl]-6,8,12-triazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-10-yl]silane.
What is the SMILES notation for 4-[2-(8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-8,13-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene;bis(10,12-diphenyl-1,9,10-triazatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8,11(14),12-hexaen-5-yl)-diphenylgermane;bis(10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-4-yl)-diphenylsilane;dimethyl-bis(10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-4-yl)silane;dimethyl-bis(12-methyl-10-oxa-1-azatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8,11(14),12-hexaen-5-yl)germane;[4-[diphenyl-(10-trimethylsilyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-4-yl)methyl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-10-yl]-trimethylsilane;triphenyl-[4-[2-(10-triphenylsilyl-6,8,12-triazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-4-yl)propan-2-yl]-6,8,12-triazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-10-yl]silane?
The canonical SMILES for 4-[2-(8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-8,13-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene;bis(10,12-diphenyl-1,9,10-triazatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8,11(14),12-hexaen-5-yl)-diphenylgermane;bis(10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-4-yl)-diphenylsilane;dimethyl-bis(10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-4-yl)silane;dimethyl-bis(12-methyl-10-oxa-1-azatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8,11(14),12-hexaen-5-yl)germane;[4-[diphenyl-(10-trimethylsilyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-4-yl)methyl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-10-yl]-trimethylsilane;triphenyl-[4-[2-(10-triphenylsilyl-6,8,12-triazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-4-yl)propan-2-yl]-6,8,12-triazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-10-yl]silane is CC(C)(c1cnc2c(c1)c1ccnc3c([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cn2c31)c1cnc2c(c1)c1ccnc3c([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cn2c31.C[Si](C)(C)c1cn2c3ccc(C(c4ccccc4)(c4ccccc4)c4ccc5c(c4)c4cccc6c([Si](C)(C)C)cn5c64)cc3c3cccc1c32.Cc1cn2c3ccc([Ge](C)(C)c4ccc5c(c4)c4coc6c(C)cn5c64)cc3c3coc1c32.Cc1cn2c3ccc([Si](C)(C)c4ccc5c(c4)c4cccc6c(C)cn5c64)cc3c3cccc1c32.Cc1cn2c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccc5c(c4)c4cccc6c(C)cn5c64)cc3c3cccc1c32.FC(F)(F)C(c1ccc2c(c1)c1cccc3ccn2c31)(c1ccc2c(c1)c1cncc3ccn2c31)C(F)(F)F.c1ccc(-c2cn3c4ccc([Ge](c5ccccc5)(c5ccccc5)c5ccc6c(c5)c5nn(-c7ccccc7)c7c(-c8ccccc8)cn6c57)cc4c4nn(-c5ccccc5)c2c43)cc1.
What is the InChIKey of 4-[2-(8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-8,13-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene;bis(10,12-diphenyl-1,9,10-triazatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8,11(14),12-hexaen-5-yl)-diphenylgermane;bis(10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-4-yl)-diphenylsilane;dimethyl-bis(10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-4-yl)silane;dimethyl-bis(12-methyl-10-oxa-1-azatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8,11(14),12-hexaen-5-yl)germane;[4-[diphenyl-(10-trimethylsilyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-4-yl)methyl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-10-yl]-trimethylsilane;triphenyl-[4-[2-(10-triphenylsilyl-6,8,12-triazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-4-yl)propan-2-yl]-6,8,12-triazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-10-yl]silane?
The InChIKey is BVTNCZAUPWRTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H46N6Si2.C58H38GeN6.C47H42N2Si2.C42H30N2Si.C32H26N2Si.C30H15F6N3.C28H22GeN2O2/c1-63(2,43-37-53-51-33-35-64-57-55(41-68(59(51)57)61(53)66-39-43)70(45-21-9-3-10-22-45,46-23-11-4-12-24-46)47-25-13-5-14-26-47)44-38-54-52-34-36-65-58-56(42-69(60(52)58)62(54)67-40-44)71(48-27-15-6-16-28-48,49-29-17-7-18-30-49)50-31-19-8-20-32-50;1-7-19-39(20-8-1)49-37-62-51-33-31-43(35-47(51)53-57(62)55(49)64(60-53)45-27-15-5-16-28-45)59(41-23-11-3-12-24-41,42-25-13-4-14-26-42)44-32-34-52-48(36-44)54-58-56(65(61-54)46-29-17-6-18-30-46)50(38-63(52)58)40-21-9-2-10-22-40;1-50(2,3)43-29-48-41-25-23-33(27-39(41)35-19-13-21-37(43)45(35)48)47(31-15-9-7-10-16-31,32-17-11-8-12-18-32)34-24-26-42-40(28-34)36-20-14-22-38-44(51(4,5)6)30-49(42)46(36)38;1-27-25-43-39-21-19-31(23-37(39)35-17-9-15-33(27)41(35)43)45(29-11-5-3-6-12-29,30-13-7-4-8-14-30)32-20-22-40-38(24-32)36-18-10-16-34-28(2)26-44(40)42(34)36;1-19-17-33-29-13-11-21(15-27(29)25-9-5-7-23(19)31(25)33)35(3,4)22-12-14-30-28(16-22)26-10-6-8-24-20(2)18-34(30)32(24)26;31-29(32,33)28(30(34,35)36,18-4-6-24-21(12-18)20-3-1-2-16-8-10-38(24)26(16)20)19-5-7-25-22(13-19)23-15-37-14-17-9-11-39(25)27(17)23;1-15-11-30-23-7-5-17(9-19(23)21-13-32-27(15)25(21)30)29(3,4)18-6-8-24-20(10-18)22-14-33-28-16(2)12-31(24)26(22)28/h3-42H,1-2H3;1-38H;7-30H,1-6H3;3-26H,1-2H3;5-18H,1-4H3;1-15H;5-14H,1-4H3.
What are the key properties of 4-[2-(8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-8,13-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene;bis(10,12-diphenyl-1,9,10-triazatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8,11(14),12-hexaen-5-yl)-diphenylgermane;bis(10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-4-yl)-diphenylsilane;dimethyl-bis(10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-4-yl)silane;dimethyl-bis(12-methyl-10-oxa-1-azatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8,11(14),12-hexaen-5-yl)germane;[4-[diphenyl-(10-trimethylsilyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-4-yl)methyl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-10-yl]-trimethylsilane;triphenyl-[4-[2-(10-triphenylsilyl-6,8,12-triazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-4-yl)propan-2-yl]-6,8,12-triazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-10-yl]silane?
4-[2-(8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-8,13-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene;bis(10,12-diphenyl-1,9,10-triazatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8,11(14),12-hexaen-5-yl)-diphenylgermane;bis(10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-4-yl)-diphenylsilane;dimethyl-bis(10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-4-yl)silane;dimethyl-bis(12-methyl-10-oxa-1-azatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8,11(14),12-hexaen-5-yl)germane;[4-[diphenyl-(10-trimethylsilyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-4-yl)methyl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-10-yl]-trimethylsilane;triphenyl-[4-[2-(10-triphenylsilyl-6,8,12-triazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-4-yl)propan-2-yl]-6,8,12-triazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-10-yl]silane has a molecular weight of 4605.93 g/mol, XLogP of 59.84, 34 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-8,13-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene;bis(10,12-diphenyl-1,9,10-triazatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8,11(14),12-hexaen-5-yl)-diphenylgermane;bis(10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-4-yl)-diphenylsilane;dimethyl-bis(10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-4-yl)silane;dimethyl-bis(12-methyl-10-oxa-1-azatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8,11(14),12-hexaen-5-yl)germane;[4-[diphenyl-(10-trimethylsilyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-4-yl)methyl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-10-yl]-trimethylsilane;triphenyl-[4-[2-(10-triphenylsilyl-6,8,12-triazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-4-yl)propan-2-yl]-6,8,12-triazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-10-yl]silane is sourced from PubChem (CID 157477470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).