C330H224N36O4Si — CID 157305661
12-[4-[3,5-bis[4-[6-deuterio-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-12-yl]phenyl]phenyl]phenyl]-6-deuterio-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole;2-deuterio-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;tetrakis[4-[5-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4,6,11-trideuterioindolo[3,2-c]carbazol-12-yl]phenyl]silane (PubChem CID 157305661) has the molecular formula C330H224N36O4Si and a molecular weight of 4801.85 g/mol. Its IUPAC name is 12-[4-[3,5-bis[4-[6-deuterio-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-12-yl]phenyl]phenyl]phenyl]-6-deuterio-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole;2-deuterio-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;tetrakis[4-[5-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4,6,11-trideuterioindolo[3,2-c]carbazol-12-yl]phenyl]silane.
| Compound Name | 12-[4-[3,5-bis[4-[6-deuterio-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-12-yl]phenyl]phenyl]phenyl]-6-deuterio-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole;2-deuterio-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;tetrakis[4-[5-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4,6,11-trideuterioindolo[3,2-c]carbazol-12-yl]phenyl]silane |
|---|---|
| PubChem CID | 157305661 |
| Molecular Formula | C330H224N36O4Si |
| Molecular Weight | 4801.85 g/mol |
| Exact Mass | 4797.92 |
| IUPAC Name | 12-[4-[3,5-bis[4-[6-deuterio-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-12-yl]phenyl]phenyl]phenyl]-6-deuterio-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole;2-deuterio-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;tetrakis[4-[5-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4,6,11-trideuterioindolo[3,2-c]carbazol-12-yl]phenyl]silane |
| SMILES | [2H]c1cc2c3ccccc3n(-c3ccc(-c4cc(-c5ccc(-n6c7ccccc7c7cc([2H])c8c(c9ccccc9n8-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c76)cc5)cc(-c5ccc(-n6c7ccccc7c7cc([2H])c8c(c9ccccc9n8-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c76)cc5)c4)cc3)c2c2c3ccccc3n(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c12.[2H]c1ccc2c(c1)c1c(ccc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c31)n2-c1ccccc1.[2H]c1cccc2c3c(c([2H])cc4c5cccc([2H])c5n(-c5ccc([Si](c6ccc(-n7c8c([2H])cccc8c8cc([2H])c9c(c%10cccc([2H])c%10n9-c9ccc(-c%10nnc(-c%11ccc(C(C)(C)C)cc%11)o%10)cc9)c87)cc6)(c6ccc(-n7c8c([2H])cccc8c8cc([2H])c9c(c%10cccc([2H])c%10n9-c9ccc(-c%10nnc(-c%11ccc(C(C)(C)C)cc%11)o%10)cc9)c87)cc6)c6ccc(-n7c8c([2H])cccc8c8cc([2H])c9c(c%10cccc([2H])c%10n9-c9ccc(-c%10nnc(-c%11ccc(C(C)(C)C)cc%11)o%10)cc9)c87)cc6)cc5)c43)n(-c3ccc(-c4nnc(-c5ccc(C(C)(C)C)cc5)o4)cc3)c12 |
| InChI | InChI=1S/C168H124N16O4Si.C123H75N15.C39H25N5/c1-165(2,3)109-61-45-101(46-62-109)157-169-173-161(185-157)105-53-69-113(70-54-105)177-141-41-25-17-33-133(141)149-145(177)97-93-129-125-29-13-21-37-137(125)181(153(129)149)117-77-85-121(86-78-117)189(122-87-79-118(80-88-122)182-138-38-22-14-30-126(138)130-94-98-146-150(154(130)182)134-34-18-26-42-142(134)178(146)114-71-55-106(56-72-114)162-174-170-158(186-162)102-47-63-110(64-48-102)166(4,5)6,123-89-81-119(82-90-123)183-139-39-23-15-31-127(139)131-95-99-147-151(155(131)183)135-35-19-27-43-143(135)179(147)115-73-57-107(58-74-115)163-175-171-159(187-163)103-49-65-111(66-50-103)167(7,8)9)124-91-83-120(84-92-124)184-140-40-24-16-32-128(140)132-96-100-148-152(156(132)184)136-36-20-28-44-144(136)180(148)116-75-59-108(60-76-116)164-176-172-160(188-164)104-51-67-112(68-52-104)168(10,11)12;1-7-31-79(32-8-1)115-124-116(80-33-9-2-10-34-80)128-121(127-115)136-103-52-28-22-46-97(103)109-106(136)70-67-94-91-43-19-25-49-100(91)133(112(94)109)88-61-55-76(56-62-88)85-73-86(77-57-63-89(64-58-77)134-101-50-26-20-44-92(101)95-68-71-107-110(113(95)134)98-47-23-29-53-104(98)137(107)122-129-117(81-35-11-3-12-36-81)125-118(130-122)82-37-13-4-14-38-82)75-87(74-85)78-59-65-90(66-60-78)135-102-51-27-21-45-93(102)96-69-72-108-111(114(96)135)99-48-24-30-54-105(99)138(108)123-131-119(83-39-15-5-16-40-83)126-120(132-123)84-41-17-6-18-42-84;1-4-14-26(15-5-1)37-40-38(27-16-6-2-7-17-27)42-39(41-37)44-32-22-12-10-20-29(32)30-24-25-34-35(36(30)44)31-21-11-13-23-33(31)43(34)28-18-8-3-9-19-28/h13-100H,1-12H3;1-75H;1-25H/i37D,38D,39D,40D,41D,42D,43D,44D,97D,98D,99D,100D;70D,71D,72D;11D |
| InChIKey | BCKYWBILHIGABJ-VFWXXBMCSA-N |
| XLogP | 79.13 |
| TPSA | 389.24 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 40 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 371 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4801.85 |
| LogP ≤ 5 | 79.13 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 40 |