About 5-[3,5-bis[8,8-dimethyl-11-[1-(2,4,6-triphenylpyrimidin-5-yl)propan-2-yl]-4,12-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-5-yl]phenyl]-8,8-dimethyl-11-[1-(2,4,6-triphenylpyrimidin-5-yl)propan-2-yl]-4,12-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4-[3-[8-[3-[4,6-bis(4-phenylpyrimidin-2-yl)-8-(2-pyridin-2-yl-3-pyridinyl)dibenzofuran-2-yl]phenyl]-4b,9b-dihydro-[1]benzothiolo[3,2-b][1]benzothiol-3-yl]phenyl]-8-[2-methyl-3-(2-methyl-3-pyrazin-2-ylphenyl)phenyl]-12-(2-pyrazin-2-yl-3-pyridinyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
5-[3,5-bis[8,8-dimethyl-11-[1-(2,4,6-triphenylpyrimidin-5-yl)propan-2-yl]-4,12-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-5-yl]phenyl]-8,8-dimethyl-11-[1-(2,4,6-triphenylpyrimidin-5-yl)propan-2-yl]-4,12-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4-[3-[8-[3-[4,6-bis(4-phenylpyrimidin-2-yl)-8-(2-pyridin-2-yl-3-pyridinyl)dibenzofuran-2-yl]phenyl]-4b,9b-dihydro-[1]benzothiolo[3,2-b][1]benzothiol-3-yl]phenyl]-8-[2-methyl-3-(2-methyl-3-pyrazin-2-ylphenyl)phenyl]-12-(2-pyrazin-2-yl-3-pyridinyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene (PubChem CID 159044180) has the molecular formula C222H162N26OS2Si3
and a molecular weight of 3358.31 g/mol. Its IUPAC name is 5-[3,5-bis[8,8-dimethyl-11-[1-(2,4,6-triphenylpyrimidin-5-yl)propan-2-yl]-4,12-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-5-yl]phenyl]-8,8-dimethyl-11-[1-(2,4,6-triphenylpyrimidin-5-yl)propan-2-yl]-4,12-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4-[3-[8-[3-[4,6-bis(4-phenylpyrimidin-2-yl)-8-(2-pyridin-2-yl-3-pyridinyl)dibenzofuran-2-yl]phenyl]-4b,9b-dihydro-[1]benzothiolo[3,2-b][1]benzothiol-3-yl]phenyl]-8-[2-methyl-3-(2-methyl-3-pyrazin-2-ylphenyl)phenyl]-12-(2-pyrazin-2-yl-3-pyridinyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene.
Frequently Asked Questions
What is the IUPAC name of 5-[3,5-bis[8,8-dimethyl-11-[1-(2,4,6-triphenylpyrimidin-5-yl)propan-2-yl]-4,12-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-5-yl]phenyl]-8,8-dimethyl-11-[1-(2,4,6-triphenylpyrimidin-5-yl)propan-2-yl]-4,12-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4-[3-[8-[3-[4,6-bis(4-phenylpyrimidin-2-yl)-8-(2-pyridin-2-yl-3-pyridinyl)dibenzofuran-2-yl]phenyl]-4b,9b-dihydro-[1]benzothiolo[3,2-b][1]benzothiol-3-yl]phenyl]-8-[2-methyl-3-(2-methyl-3-pyrazin-2-ylphenyl)phenyl]-12-(2-pyrazin-2-yl-3-pyridinyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
The IUPAC name of 5-[3,5-bis[8,8-dimethyl-11-[1-(2,4,6-triphenylpyrimidin-5-yl)propan-2-yl]-4,12-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-5-yl]phenyl]-8,8-dimethyl-11-[1-(2,4,6-triphenylpyrimidin-5-yl)propan-2-yl]-4,12-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4-[3-[8-[3-[4,6-bis(4-phenylpyrimidin-2-yl)-8-(2-pyridin-2-yl-3-pyridinyl)dibenzofuran-2-yl]phenyl]-4b,9b-dihydro-[1]benzothiolo[3,2-b][1]benzothiol-3-yl]phenyl]-8-[2-methyl-3-(2-methyl-3-pyrazin-2-ylphenyl)phenyl]-12-(2-pyrazin-2-yl-3-pyridinyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene (CID 159044180) is 5-[3,5-bis[8,8-dimethyl-11-[1-(2,4,6-triphenylpyrimidin-5-yl)propan-2-yl]-4,12-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-5-yl]phenyl]-8,8-dimethyl-11-[1-(2,4,6-triphenylpyrimidin-5-yl)propan-2-yl]-4,12-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4-[3-[8-[3-[4,6-bis(4-phenylpyrimidin-2-yl)-8-(2-pyridin-2-yl-3-pyridinyl)dibenzofuran-2-yl]phenyl]-4b,9b-dihydro-[1]benzothiolo[3,2-b][1]benzothiol-3-yl]phenyl]-8-[2-methyl-3-(2-methyl-3-pyrazin-2-ylphenyl)phenyl]-12-(2-pyrazin-2-yl-3-pyridinyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene.
What is the SMILES notation for 5-[3,5-bis[8,8-dimethyl-11-[1-(2,4,6-triphenylpyrimidin-5-yl)propan-2-yl]-4,12-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-5-yl]phenyl]-8,8-dimethyl-11-[1-(2,4,6-triphenylpyrimidin-5-yl)propan-2-yl]-4,12-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4-[3-[8-[3-[4,6-bis(4-phenylpyrimidin-2-yl)-8-(2-pyridin-2-yl-3-pyridinyl)dibenzofuran-2-yl]phenyl]-4b,9b-dihydro-[1]benzothiolo[3,2-b][1]benzothiol-3-yl]phenyl]-8-[2-methyl-3-(2-methyl-3-pyrazin-2-ylphenyl)phenyl]-12-(2-pyrazin-2-yl-3-pyridinyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
The canonical SMILES for 5-[3,5-bis[8,8-dimethyl-11-[1-(2,4,6-triphenylpyrimidin-5-yl)propan-2-yl]-4,12-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-5-yl]phenyl]-8,8-dimethyl-11-[1-(2,4,6-triphenylpyrimidin-5-yl)propan-2-yl]-4,12-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4-[3-[8-[3-[4,6-bis(4-phenylpyrimidin-2-yl)-8-(2-pyridin-2-yl-3-pyridinyl)dibenzofuran-2-yl]phenyl]-4b,9b-dihydro-[1]benzothiolo[3,2-b][1]benzothiol-3-yl]phenyl]-8-[2-methyl-3-(2-methyl-3-pyrazin-2-ylphenyl)phenyl]-12-(2-pyrazin-2-yl-3-pyridinyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene is CC(Cc1c(-c2ccccc2)nc(-c2ccccc2)nc1-c1ccccc1)c1cc2c(cn1)-c1cnc(-c3cc(-c4cc5c(cn4)-c4cnc(C(C)Cc6c(-c7ccccc7)nc(-c7ccccc7)nc6-c6ccccc6)cc4[Si]5(C)C)cc(-c4cc5c(cn4)-c4cnc(C(C)Cc6c(-c7ccccc7)nc(-c7ccccc7)nc6-c6ccccc6)cc4[Si]5(C)C)c3)cc1[Si]2(C)C.Cc1c(-c2cnccn2)cccc1-c1cccc(-n2c3cnc(-c4cccc(-c5ccc6c(c5)C5Sc7ccc(-c8cccc(-c9cc(-c%10nccc(-c%11ccccc%11)n%10)c%10oc%11c(-c%12nccc(-c%13ccccc%13)n%12)cc(-c%12cccnc%12-c%12ccccn%12)cc%11c%10c9)c8)cc7C5S6)c4)cc3c3cc(-c4cccnc4-c4cnccn4)ncc32)c1C.
What is the InChIKey of 5-[3,5-bis[8,8-dimethyl-11-[1-(2,4,6-triphenylpyrimidin-5-yl)propan-2-yl]-4,12-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-5-yl]phenyl]-8,8-dimethyl-11-[1-(2,4,6-triphenylpyrimidin-5-yl)propan-2-yl]-4,12-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4-[3-[8-[3-[4,6-bis(4-phenylpyrimidin-2-yl)-8-(2-pyridin-2-yl-3-pyridinyl)dibenzofuran-2-yl]phenyl]-4b,9b-dihydro-[1]benzothiolo[3,2-b][1]benzothiol-3-yl]phenyl]-8-[2-methyl-3-(2-methyl-3-pyrazin-2-ylphenyl)phenyl]-12-(2-pyrazin-2-yl-3-pyridinyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
The InChIKey is JWLFXTHLTARMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C117H96N12Si3.C105H66N14OS2/c1-73(55-88-109(76-37-19-10-20-38-76)124-115(82-49-31-16-32-50-82)125-110(88)77-39-21-11-22-40-77)97-61-103-91(67-118-97)94-70-121-100(64-106(94)130(103,4)5)85-58-86(101-65-107-95(71-122-101)92-68-119-98(62-104(92)131(107,6)7)74(2)56-89-111(78-41-23-12-24-42-78)126-116(83-51-33-17-34-52-83)127-112(89)79-43-25-13-26-44-79)60-87(59-85)102-66-108-96(72-123-102)93-69-120-99(63-105(93)132(108,8)9)75(3)57-90-113(80-45-27-14-28-46-80)128-117(84-53-35-18-36-54-84)129-114(90)81-47-29-15-30-48-81;1-61-73(25-13-27-75(61)91-57-106-43-45-109-91)74-26-14-31-93(62(74)2)119-94-59-115-89(55-78(94)79-56-90(116-60-95(79)119)77-29-16-40-112-99(77)92-58-107-44-46-110-92)70-24-12-22-66(48-70)69-33-35-97-83(50-69)103-102(122-97)82-49-68(32-34-96(82)121-103)65-21-11-23-67(47-65)71-51-80-81-53-72(76-28-15-39-111-98(76)88-30-9-10-38-108-88)54-85(105-114-42-37-87(118-105)64-19-7-4-8-20-64)101(81)120-100(80)84(52-71)104-113-41-36-86(117-104)63-17-5-3-6-18-63/h10-54,58-75H,55-57H2,1-9H3;3-60,102-103H,1-2H3.
What are the key properties of 5-[3,5-bis[8,8-dimethyl-11-[1-(2,4,6-triphenylpyrimidin-5-yl)propan-2-yl]-4,12-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-5-yl]phenyl]-8,8-dimethyl-11-[1-(2,4,6-triphenylpyrimidin-5-yl)propan-2-yl]-4,12-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4-[3-[8-[3-[4,6-bis(4-phenylpyrimidin-2-yl)-8-(2-pyridin-2-yl-3-pyridinyl)dibenzofuran-2-yl]phenyl]-4b,9b-dihydro-[1]benzothiolo[3,2-b][1]benzothiol-3-yl]phenyl]-8-[2-methyl-3-(2-methyl-3-pyrazin-2-ylphenyl)phenyl]-12-(2-pyrazin-2-yl-3-pyridinyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
5-[3,5-bis[8,8-dimethyl-11-[1-(2,4,6-triphenylpyrimidin-5-yl)propan-2-yl]-4,12-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-5-yl]phenyl]-8,8-dimethyl-11-[1-(2,4,6-triphenylpyrimidin-5-yl)propan-2-yl]-4,12-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4-[3-[8-[3-[4,6-bis(4-phenylpyrimidin-2-yl)-8-(2-pyridin-2-yl-3-pyridinyl)dibenzofuran-2-yl]phenyl]-4b,9b-dihydro-[1]benzothiolo[3,2-b][1]benzothiol-3-yl]phenyl]-8-[2-methyl-3-(2-methyl-3-pyrazin-2-ylphenyl)phenyl]-12-(2-pyrazin-2-yl-3-pyridinyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene has a molecular weight of 3358.31 g/mol, XLogP of 49.64, 36 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-bis[8,8-dimethyl-11-[1-(2,4,6-triphenylpyrimidin-5-yl)propan-2-yl]-4,12-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-5-yl]phenyl]-8,8-dimethyl-11-[1-(2,4,6-triphenylpyrimidin-5-yl)propan-2-yl]-4,12-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4-[3-[8-[3-[4,6-bis(4-phenylpyrimidin-2-yl)-8-(2-pyridin-2-yl-3-pyridinyl)dibenzofuran-2-yl]phenyl]-4b,9b-dihydro-[1]benzothiolo[3,2-b][1]benzothiol-3-yl]phenyl]-8-[2-methyl-3-(2-methyl-3-pyrazin-2-ylphenyl)phenyl]-12-(2-pyrazin-2-yl-3-pyridinyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene is sourced from PubChem (CID 159044180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).