About 3,6-bis(13,13-dimethyl-2-phenyl-[1]benzofuro[2,3-a]acridin-5-yl)-5-isocyanopentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene-4-carbonitrile;4,5-ditert-butyl-2,3-diisocyano-6-(4-phenyl-N-(4-phenylphenyl)anilino)benzonitrile;2-(9,9-dimethylacridin-10-yl)-5,6-diisocyano-3,4-di(propan-2-yl)benzonitrile;4-(9,9-dimethylacridin-10-yl)-6,7-diisocyano-1,1,2,2,3,3-hexamethylindene-5-carbonitrile;4-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-6,7-diisocyano-2,2-dimethylindene-5-carbonitrile;5-isocyano-3,6-di(phenoxazin-10-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-4-carbonitrile;methane
3,6-bis(13,13-dimethyl-2-phenyl-[1]benzofuro[2,3-a]acridin-5-yl)-5-isocyanopentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene-4-carbonitrile;4,5-ditert-butyl-2,3-diisocyano-6-(4-phenyl-N-(4-phenylphenyl)anilino)benzonitrile;2-(9,9-dimethylacridin-10-yl)-5,6-diisocyano-3,4-di(propan-2-yl)benzonitrile;4-(9,9-dimethylacridin-10-yl)-6,7-diisocyano-1,1,2,2,3,3-hexamethylindene-5-carbonitrile;4-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-6,7-diisocyano-2,2-dimethylindene-5-carbonitrile;5-isocyano-3,6-di(phenoxazin-10-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-4-carbonitrile;methane (PubChem CID 160922277) has the molecular formula C267H222F4N24O4
and a molecular weight of 3906.87 g/mol. Its IUPAC name is 3,6-bis(13,13-dimethyl-2-phenyl-[1]benzofuro[2,3-a]acridin-5-yl)-5-isocyanopentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene-4-carbonitrile;4,5-ditert-butyl-2,3-diisocyano-6-(4-phenyl-N-(4-phenylphenyl)anilino)benzonitrile;2-(9,9-dimethylacridin-10-yl)-5,6-diisocyano-3,4-di(propan-2-yl)benzonitrile;4-(9,9-dimethylacridin-10-yl)-6,7-diisocyano-1,1,2,2,3,3-hexamethylindene-5-carbonitrile;4-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-6,7-diisocyano-2,2-dimethylindene-5-carbonitrile;5-isocyano-3,6-di(phenoxazin-10-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-4-carbonitrile;methane.
Frequently Asked Questions
What is the IUPAC name of 3,6-bis(13,13-dimethyl-2-phenyl-[1]benzofuro[2,3-a]acridin-5-yl)-5-isocyanopentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene-4-carbonitrile;4,5-ditert-butyl-2,3-diisocyano-6-(4-phenyl-N-(4-phenylphenyl)anilino)benzonitrile;2-(9,9-dimethylacridin-10-yl)-5,6-diisocyano-3,4-di(propan-2-yl)benzonitrile;4-(9,9-dimethylacridin-10-yl)-6,7-diisocyano-1,1,2,2,3,3-hexamethylindene-5-carbonitrile;4-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-6,7-diisocyano-2,2-dimethylindene-5-carbonitrile;5-isocyano-3,6-di(phenoxazin-10-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-4-carbonitrile;methane?
The IUPAC name of 3,6-bis(13,13-dimethyl-2-phenyl-[1]benzofuro[2,3-a]acridin-5-yl)-5-isocyanopentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene-4-carbonitrile;4,5-ditert-butyl-2,3-diisocyano-6-(4-phenyl-N-(4-phenylphenyl)anilino)benzonitrile;2-(9,9-dimethylacridin-10-yl)-5,6-diisocyano-3,4-di(propan-2-yl)benzonitrile;4-(9,9-dimethylacridin-10-yl)-6,7-diisocyano-1,1,2,2,3,3-hexamethylindene-5-carbonitrile;4-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-6,7-diisocyano-2,2-dimethylindene-5-carbonitrile;5-isocyano-3,6-di(phenoxazin-10-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-4-carbonitrile;methane (CID 160922277) is 3,6-bis(13,13-dimethyl-2-phenyl-[1]benzofuro[2,3-a]acridin-5-yl)-5-isocyanopentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene-4-carbonitrile;4,5-ditert-butyl-2,3-diisocyano-6-(4-phenyl-N-(4-phenylphenyl)anilino)benzonitrile;2-(9,9-dimethylacridin-10-yl)-5,6-diisocyano-3,4-di(propan-2-yl)benzonitrile;4-(9,9-dimethylacridin-10-yl)-6,7-diisocyano-1,1,2,2,3,3-hexamethylindene-5-carbonitrile;4-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-6,7-diisocyano-2,2-dimethylindene-5-carbonitrile;5-isocyano-3,6-di(phenoxazin-10-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-4-carbonitrile;methane.
What is the SMILES notation for 3,6-bis(13,13-dimethyl-2-phenyl-[1]benzofuro[2,3-a]acridin-5-yl)-5-isocyanopentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene-4-carbonitrile;4,5-ditert-butyl-2,3-diisocyano-6-(4-phenyl-N-(4-phenylphenyl)anilino)benzonitrile;2-(9,9-dimethylacridin-10-yl)-5,6-diisocyano-3,4-di(propan-2-yl)benzonitrile;4-(9,9-dimethylacridin-10-yl)-6,7-diisocyano-1,1,2,2,3,3-hexamethylindene-5-carbonitrile;4-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-6,7-diisocyano-2,2-dimethylindene-5-carbonitrile;5-isocyano-3,6-di(phenoxazin-10-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-4-carbonitrile;methane?
The canonical SMILES for 3,6-bis(13,13-dimethyl-2-phenyl-[1]benzofuro[2,3-a]acridin-5-yl)-5-isocyanopentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene-4-carbonitrile;4,5-ditert-butyl-2,3-diisocyano-6-(4-phenyl-N-(4-phenylphenyl)anilino)benzonitrile;2-(9,9-dimethylacridin-10-yl)-5,6-diisocyano-3,4-di(propan-2-yl)benzonitrile;4-(9,9-dimethylacridin-10-yl)-6,7-diisocyano-1,1,2,2,3,3-hexamethylindene-5-carbonitrile;4-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-6,7-diisocyano-2,2-dimethylindene-5-carbonitrile;5-isocyano-3,6-di(phenoxazin-10-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-4-carbonitrile;methane is C.C.C.C.C.C.C.[C-]#[N+]c1c(C#N)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c2c(c1[N+]#[C-])C(F)(F)C(C)(C)C2(F)F.[C-]#[N+]c1c(C#N)c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)c(C(C)(C)C)c(C(C)(C)C)c1[N+]#[C-].[C-]#[N+]c1c(C#N)c(N2c3ccc(-c4ccccc4)cc3C(C)(C)c3c2ccc2c3oc3ccccc32)c2c(c1N1c3ccc(-c4ccccc4)cc3C(C)(C)c3c1ccc1c3oc3ccccc31)C1c3ccccc3C2c2ccccc21.[C-]#[N+]c1c(C#N)c(N2c3ccccc3C(C)(C)c3ccccc32)c(C(C)C)c(C(C)C)c1[N+]#[C-].[C-]#[N+]c1c(C#N)c(N2c3ccccc3C(C)(C)c3ccccc32)c2c(c1[N+]#[C-])C(C)(C)C(C)(C)C2(C)C.[C-]#[N+]c1c(C#N)c(N2c3ccccc3Oc3ccccc32)c2c(c1N1c3ccccc3Oc3ccccc31)C1CCC2c2ccccc21.
What is the InChIKey of 3,6-bis(13,13-dimethyl-2-phenyl-[1]benzofuro[2,3-a]acridin-5-yl)-5-isocyanopentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene-4-carbonitrile;4,5-ditert-butyl-2,3-diisocyano-6-(4-phenyl-N-(4-phenylphenyl)anilino)benzonitrile;2-(9,9-dimethylacridin-10-yl)-5,6-diisocyano-3,4-di(propan-2-yl)benzonitrile;4-(9,9-dimethylacridin-10-yl)-6,7-diisocyano-1,1,2,2,3,3-hexamethylindene-5-carbonitrile;4-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-6,7-diisocyano-2,2-dimethylindene-5-carbonitrile;5-isocyano-3,6-di(phenoxazin-10-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-4-carbonitrile;methane?
The InChIKey is SSEMJSPYIXGLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H50N4O2.C42H26N4O2.C41H36N4.C38H22F4N4.C33H32N4.C30H28N4.7CH4/c1-75(2)56-40-45(43-20-8-6-9-21-43)32-36-58(56)79(60-38-34-53-47-24-16-18-30-62(47)81-73(53)68(60)75)71-55(42-77)70(78-5)72(67-65-51-28-14-12-26-49(51)64(66(67)71)50-27-13-15-29-52(50)65)80-59-37-33-46(44-22-10-7-11-23-44)41-57(59)76(3,4)69-61(80)39-35-54-48-25-17-19-31-63(48)82-74(54)69;1-44-40-29(24-43)41(45-30-14-4-8-18-34(30)47-35-19-9-5-15-31(35)45)38-27-22-23-28(26-13-3-2-12-25(26)27)39(38)42(40)46-32-16-6-10-20-36(32)48-37-21-11-7-17-33(37)46;1-40(2,3)35-36(41(4,5)6)39(34(27-42)37(43-7)38(35)44-8)45(32-23-19-30(20-24-32)28-15-11-9-12-16-28)33-25-21-31(22-26-33)29-17-13-10-14-18-29;1-36(2)37(39,40)31-32(38(36,41)42)35(28(21-43)33(44-3)34(31)45-4)46-29-17-15-24(22-11-7-5-8-12-22)19-26(29)27-20-25(16-18-30(27)46)23-13-9-6-10-14-23;1-30(2)21-15-11-13-17-23(21)37(24-18-14-12-16-22(24)30)29-20(19-34)27(35-9)28(36-10)25-26(29)32(5,6)33(7,8)31(25,3)4;1-18(2)25-26(19(3)4)29(20(17-31)27(32-7)28(25)33-8)34-23-15-11-9-13-21(23)30(5,6)22-14-10-12-16-24(22)34;;;;;;;/h6-41,64-65H,1-4H3;2-21,27-28H,22-23H2;9-26H,1-6H3;5-20H,1-2H3;11-18H,1-8H3;9-16,18-19H,1-6H3;7*1H4.
What are the key properties of 3,6-bis(13,13-dimethyl-2-phenyl-[1]benzofuro[2,3-a]acridin-5-yl)-5-isocyanopentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene-4-carbonitrile;4,5-ditert-butyl-2,3-diisocyano-6-(4-phenyl-N-(4-phenylphenyl)anilino)benzonitrile;2-(9,9-dimethylacridin-10-yl)-5,6-diisocyano-3,4-di(propan-2-yl)benzonitrile;4-(9,9-dimethylacridin-10-yl)-6,7-diisocyano-1,1,2,2,3,3-hexamethylindene-5-carbonitrile;4-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-6,7-diisocyano-2,2-dimethylindene-5-carbonitrile;5-isocyano-3,6-di(phenoxazin-10-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-4-carbonitrile;methane?
3,6-bis(13,13-dimethyl-2-phenyl-[1]benzofuro[2,3-a]acridin-5-yl)-5-isocyanopentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene-4-carbonitrile;4,5-ditert-butyl-2,3-diisocyano-6-(4-phenyl-N-(4-phenylphenyl)anilino)benzonitrile;2-(9,9-dimethylacridin-10-yl)-5,6-diisocyano-3,4-di(propan-2-yl)benzonitrile;4-(9,9-dimethylacridin-10-yl)-6,7-diisocyano-1,1,2,2,3,3-hexamethylindene-5-carbonitrile;4-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-6,7-diisocyano-2,2-dimethylindene-5-carbonitrile;5-isocyano-3,6-di(phenoxazin-10-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-4-carbonitrile;methane has a molecular weight of 3906.87 g/mol, XLogP of 78.28, 18 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(13,13-dimethyl-2-phenyl-[1]benzofuro[2,3-a]acridin-5-yl)-5-isocyanopentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene-4-carbonitrile;4,5-ditert-butyl-2,3-diisocyano-6-(4-phenyl-N-(4-phenylphenyl)anilino)benzonitrile;2-(9,9-dimethylacridin-10-yl)-5,6-diisocyano-3,4-di(propan-2-yl)benzonitrile;4-(9,9-dimethylacridin-10-yl)-6,7-diisocyano-1,1,2,2,3,3-hexamethylindene-5-carbonitrile;4-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-6,7-diisocyano-2,2-dimethylindene-5-carbonitrile;5-isocyano-3,6-di(phenoxazin-10-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-4-carbonitrile;methane is sourced from PubChem (CID 160922277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).