About 2-(4-tert-butylphenyl)-5-[7-[2-(4-tert-butylphenyl)pyrimidin-5-yl]-3',6'-bis[10-(2-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-xanthene]-2-yl]pyrimidine;2-(4-tert-butylphenyl)-5-[7-[2-(4-tert-butylphenyl)pyrimidin-5-yl]spiro[fluorene-9,9'-xanthene]-2-yl]pyrimidine;3-[6'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]-6-isocyano-9-phenylcarbazole;6-[7'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile;3-[6'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]-6-isocyano-9-phenylcarbazole;6-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile
2-(4-tert-butylphenyl)-5-[7-[2-(4-tert-butylphenyl)pyrimidin-5-yl]-3',6'-bis[10-(2-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-xanthene]-2-yl]pyrimidine;2-(4-tert-butylphenyl)-5-[7-[2-(4-tert-butylphenyl)pyrimidin-5-yl]spiro[fluorene-9,9'-xanthene]-2-yl]pyrimidine;3-[6'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]-6-isocyano-9-phenylcarbazole;6-[7'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile;3-[6'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]-6-isocyano-9-phenylcarbazole;6-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile (PubChem CID 159884016) has the molecular formula C396H262N26O6
and a molecular weight of 5480.63 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-5-[7-[2-(4-tert-butylphenyl)pyrimidin-5-yl]-3',6'-bis[10-(2-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-xanthene]-2-yl]pyrimidine;2-(4-tert-butylphenyl)-5-[7-[2-(4-tert-butylphenyl)pyrimidin-5-yl]spiro[fluorene-9,9'-xanthene]-2-yl]pyrimidine;3-[6'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]-6-isocyano-9-phenylcarbazole;6-[7'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile;3-[6'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]-6-isocyano-9-phenylcarbazole;6-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile.
Frequently Asked Questions
What is the IUPAC name of 2-(4-tert-butylphenyl)-5-[7-[2-(4-tert-butylphenyl)pyrimidin-5-yl]-3',6'-bis[10-(2-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-xanthene]-2-yl]pyrimidine;2-(4-tert-butylphenyl)-5-[7-[2-(4-tert-butylphenyl)pyrimidin-5-yl]spiro[fluorene-9,9'-xanthene]-2-yl]pyrimidine;3-[6'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]-6-isocyano-9-phenylcarbazole;6-[7'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile;3-[6'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]-6-isocyano-9-phenylcarbazole;6-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile?
The IUPAC name of 2-(4-tert-butylphenyl)-5-[7-[2-(4-tert-butylphenyl)pyrimidin-5-yl]-3',6'-bis[10-(2-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-xanthene]-2-yl]pyrimidine;2-(4-tert-butylphenyl)-5-[7-[2-(4-tert-butylphenyl)pyrimidin-5-yl]spiro[fluorene-9,9'-xanthene]-2-yl]pyrimidine;3-[6'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]-6-isocyano-9-phenylcarbazole;6-[7'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile;3-[6'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]-6-isocyano-9-phenylcarbazole;6-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile (CID 159884016) is 2-(4-tert-butylphenyl)-5-[7-[2-(4-tert-butylphenyl)pyrimidin-5-yl]-3',6'-bis[10-(2-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-xanthene]-2-yl]pyrimidine;2-(4-tert-butylphenyl)-5-[7-[2-(4-tert-butylphenyl)pyrimidin-5-yl]spiro[fluorene-9,9'-xanthene]-2-yl]pyrimidine;3-[6'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]-6-isocyano-9-phenylcarbazole;6-[7'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile;3-[6'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]-6-isocyano-9-phenylcarbazole;6-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile.
What is the SMILES notation for 2-(4-tert-butylphenyl)-5-[7-[2-(4-tert-butylphenyl)pyrimidin-5-yl]-3',6'-bis[10-(2-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-xanthene]-2-yl]pyrimidine;2-(4-tert-butylphenyl)-5-[7-[2-(4-tert-butylphenyl)pyrimidin-5-yl]spiro[fluorene-9,9'-xanthene]-2-yl]pyrimidine;3-[6'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]-6-isocyano-9-phenylcarbazole;6-[7'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile;3-[6'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]-6-isocyano-9-phenylcarbazole;6-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile?
The canonical SMILES for 2-(4-tert-butylphenyl)-5-[7-[2-(4-tert-butylphenyl)pyrimidin-5-yl]-3',6'-bis[10-(2-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-xanthene]-2-yl]pyrimidine;2-(4-tert-butylphenyl)-5-[7-[2-(4-tert-butylphenyl)pyrimidin-5-yl]spiro[fluorene-9,9'-xanthene]-2-yl]pyrimidine;3-[6'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]-6-isocyano-9-phenylcarbazole;6-[7'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile;3-[6'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]-6-isocyano-9-phenylcarbazole;6-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile is CC(C)(C)c1ccc(-c2ncc(-c3ccc4c(c3)C3(c5ccc(-c6c7ccccc7c(-c7ccccc7-c7ccccc7)c7ccccc67)cc5Oc5cc(-c6c7ccccc7c(-c7ccccc7-c7ccccc7)c7ccccc67)ccc53)c3cc(-c5cnc(-c6ccc(C(C)(C)C)cc6)nc5)ccc3-4)cn2)cc1.CC(C)(C)c1ccc(-c2ncc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cc(-c5cnc(-c6ccc(C(C)(C)C)cc6)nc5)ccc3-4)cn2)cc1.N#Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)C3(c5cc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)ccc5O4)c4ccccc4-c4ccccc43)ccc1n2-c1ccccc1.N#Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)C3(c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5O4)c4ccccc4-c4ccccc43)ccc1n2-c1ccccc1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc4c(c3)Oc3cc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)ccc3C43c4ccccc4-c4ccccc43)ccc1n2-c1ccccc1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc4c(c3)Oc3cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc3C43c4ccccc4-c4ccccc43)ccc1n2-c1ccccc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-5-[7-[2-(4-tert-butylphenyl)pyrimidin-5-yl]-3',6'-bis[10-(2-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-xanthene]-2-yl]pyrimidine;2-(4-tert-butylphenyl)-5-[7-[2-(4-tert-butylphenyl)pyrimidin-5-yl]spiro[fluorene-9,9'-xanthene]-2-yl]pyrimidine;3-[6'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]-6-isocyano-9-phenylcarbazole;6-[7'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile;3-[6'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]-6-isocyano-9-phenylcarbazole;6-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile?
The InChIKey is NTWZRBAJUUSPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C105H76N4O.2C60H36N4O.2C59H35N5O.C53H44N4O/c1-103(2,3)75-49-41-67(42-50-75)101-106-61-73(62-107-101)69-45-53-79-80-54-46-70(74-63-108-102(109-64-74)68-43-51-76(52-44-68)104(4,5)6)58-94(80)105(93(79)57-69)91-55-47-71(97-83-33-17-21-37-87(83)99(88-38-22-18-34-84(88)97)81-31-15-13-29-77(81)65-25-9-7-10-26-65)59-95(91)110-96-60-72(48-56-92(96)105)98-85-35-19-23-39-89(85)100(90-40-24-20-36-86(90)98)82-32-16-14-30-78(82)66-27-11-8-12-28-66;1-61-43-28-32-56-48(36-43)47-33-40(27-31-55(47)64(56)44-19-9-4-10-20-44)41-25-29-51-57(34-41)65-58-35-42(26-30-52(58)60(51)49-23-13-11-21-45(49)46-22-12-14-24-50(46)60)59-62-53(38-15-5-2-6-16-38)37-54(63-59)39-17-7-3-8-18-39;61-37-38-24-28-55-47(32-38)48-33-41(25-29-56(48)64(55)44-18-8-3-9-19-44)42-26-30-57-51(34-42)60(49-22-12-10-20-45(49)46-21-11-13-23-50(46)60)52-35-43(27-31-58(52)65-57)59-62-53(39-14-4-1-5-15-39)36-54(63-59)40-16-6-2-7-17-40;1-60-42-28-32-53-47(36-42)46-33-39(27-31-52(46)64(53)43-19-9-4-10-20-43)40-25-29-50-54(34-40)65-55-35-41(26-30-51(55)59(50)48-23-13-11-21-44(48)45-22-12-14-24-49(45)59)58-62-56(37-15-5-2-6-16-37)61-57(63-58)38-17-7-3-8-18-38;60-36-37-24-28-52-46(32-37)47-33-40(25-29-53(47)64(52)43-18-8-3-9-19-43)41-26-30-54-50(34-41)59(48-22-12-10-20-44(48)45-21-11-13-23-49(45)59)51-35-42(27-31-55(51)65-54)58-62-56(38-14-4-1-5-15-38)61-57(63-58)39-16-6-2-7-17-39;1-51(2,3)39-21-15-33(16-22-39)49-54-29-37(30-55-49)35-19-25-41-42-26-20-36(38-31-56-50(57-32-38)34-17-23-40(24-18-34)52(4,5)6)28-46(42)53(45(41)27-35)43-11-7-9-13-47(43)58-48-14-10-8-12-44(48)53/h7-64H,1-6H3;2-37H;1-36H;2-36H;1-35H;7-32H,1-6H3.
What are the key properties of 2-(4-tert-butylphenyl)-5-[7-[2-(4-tert-butylphenyl)pyrimidin-5-yl]-3',6'-bis[10-(2-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-xanthene]-2-yl]pyrimidine;2-(4-tert-butylphenyl)-5-[7-[2-(4-tert-butylphenyl)pyrimidin-5-yl]spiro[fluorene-9,9'-xanthene]-2-yl]pyrimidine;3-[6'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]-6-isocyano-9-phenylcarbazole;6-[7'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile;3-[6'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]-6-isocyano-9-phenylcarbazole;6-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile?
2-(4-tert-butylphenyl)-5-[7-[2-(4-tert-butylphenyl)pyrimidin-5-yl]-3',6'-bis[10-(2-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-xanthene]-2-yl]pyrimidine;2-(4-tert-butylphenyl)-5-[7-[2-(4-tert-butylphenyl)pyrimidin-5-yl]spiro[fluorene-9,9'-xanthene]-2-yl]pyrimidine;3-[6'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]-6-isocyano-9-phenylcarbazole;6-[7'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile;3-[6'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]-6-isocyano-9-phenylcarbazole;6-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile has a molecular weight of 5480.63 g/mol, XLogP of 99.09, 34 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-5-[7-[2-(4-tert-butylphenyl)pyrimidin-5-yl]-3',6'-bis[10-(2-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-xanthene]-2-yl]pyrimidine;2-(4-tert-butylphenyl)-5-[7-[2-(4-tert-butylphenyl)pyrimidin-5-yl]spiro[fluorene-9,9'-xanthene]-2-yl]pyrimidine;3-[6'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]-6-isocyano-9-phenylcarbazole;6-[7'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile;3-[6'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]-6-isocyano-9-phenylcarbazole;6-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile is sourced from PubChem (CID 159884016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).