About 4a,9a-dimethyl-9-[4-[(E)-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-11-ylethenyl]phenyl]-1,2,3,4-tetrahydrocarbazole;17-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-11-[4-(3a,8b-dimethyl-2,3-dihydro-1H-cyclopenta[b]indol-4-yl)phenyl]-N,N-dimethyl-14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-6-amine;13-[3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-N-dibenzofuran-4-yl-15,15-dimethyl-N-(2-phenylphenyl)-11-oxaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17(22),18,20,23,25,27-tridecaen-20-amine;11-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-N-dibenzofuran-4-yl-N-(2-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,9'-fluorene]-17-amine;9-[4-[11-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,9'-fluorene]-17-yl]phenyl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;5-N',9-N'-bis(4-tert-butylphenyl)-5-N',9-N'-bis(4-trimethylsilylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-5',9'-diamine;5-N',9-N'-bis(6-methyl-3-pyridinyl)-5-N',9-N'-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-5',9'-diamine
4a,9a-dimethyl-9-[4-[(E)-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-11-ylethenyl]phenyl]-1,2,3,4-tetrahydrocarbazole;17-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-11-[4-(3a,8b-dimethyl-2,3-dihydro-1H-cyclopenta[b]indol-4-yl)phenyl]-N,N-dimethyl-14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-6-amine;13-[3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-N-dibenzofuran-4-yl-15,15-dimethyl-N-(2-phenylphenyl)-11-oxaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17(22),18,20,23,25,27-tridecaen-20-amine;11-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-N-dibenzofuran-4-yl-N-(2-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,9'-fluorene]-17-amine;9-[4-[11-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,9'-fluorene]-17-yl]phenyl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;5-N',9-N'-bis(4-tert-butylphenyl)-5-N',9-N'-bis(4-trimethylsilylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-5',9'-diamine;5-N',9-N'-bis(6-methyl-3-pyridinyl)-5-N',9-N'-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-5',9'-diamine (PubChem CID 159782461) has the molecular formula C474H386N16O7S2Si2
and a molecular weight of 6538.71 g/mol. Its IUPAC name is 4a,9a-dimethyl-9-[4-[(E)-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-11-ylethenyl]phenyl]-1,2,3,4-tetrahydrocarbazole;17-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-11-[4-(3a,8b-dimethyl-2,3-dihydro-1H-cyclopenta[b]indol-4-yl)phenyl]-N,N-dimethyl-14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-6-amine;13-[3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-N-dibenzofuran-4-yl-15,15-dimethyl-N-(2-phenylphenyl)-11-oxaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17(22),18,20,23,25,27-tridecaen-20-amine;11-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-N-dibenzofuran-4-yl-N-(2-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,9'-fluorene]-17-amine;9-[4-[11-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,9'-fluorene]-17-yl]phenyl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;5-N',9-N'-bis(4-tert-butylphenyl)-5-N',9-N'-bis(4-trimethylsilylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-5',9'-diamine;5-N',9-N'-bis(6-methyl-3-pyridinyl)-5-N',9-N'-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-5',9'-diamine.
Frequently Asked Questions
What is the IUPAC name of 4a,9a-dimethyl-9-[4-[(E)-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-11-ylethenyl]phenyl]-1,2,3,4-tetrahydrocarbazole;17-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-11-[4-(3a,8b-dimethyl-2,3-dihydro-1H-cyclopenta[b]indol-4-yl)phenyl]-N,N-dimethyl-14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-6-amine;13-[3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-N-dibenzofuran-4-yl-15,15-dimethyl-N-(2-phenylphenyl)-11-oxaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17(22),18,20,23,25,27-tridecaen-20-amine;11-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-N-dibenzofuran-4-yl-N-(2-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,9'-fluorene]-17-amine;9-[4-[11-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,9'-fluorene]-17-yl]phenyl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;5-N',9-N'-bis(4-tert-butylphenyl)-5-N',9-N'-bis(4-trimethylsilylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-5',9'-diamine;5-N',9-N'-bis(6-methyl-3-pyridinyl)-5-N',9-N'-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-5',9'-diamine?
The IUPAC name of 4a,9a-dimethyl-9-[4-[(E)-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-11-ylethenyl]phenyl]-1,2,3,4-tetrahydrocarbazole;17-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-11-[4-(3a,8b-dimethyl-2,3-dihydro-1H-cyclopenta[b]indol-4-yl)phenyl]-N,N-dimethyl-14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-6-amine;13-[3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-N-dibenzofuran-4-yl-15,15-dimethyl-N-(2-phenylphenyl)-11-oxaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17(22),18,20,23,25,27-tridecaen-20-amine;11-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-N-dibenzofuran-4-yl-N-(2-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,9'-fluorene]-17-amine;9-[4-[11-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,9'-fluorene]-17-yl]phenyl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;5-N',9-N'-bis(4-tert-butylphenyl)-5-N',9-N'-bis(4-trimethylsilylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-5',9'-diamine;5-N',9-N'-bis(6-methyl-3-pyridinyl)-5-N',9-N'-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-5',9'-diamine (CID 159782461) is 4a,9a-dimethyl-9-[4-[(E)-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-11-ylethenyl]phenyl]-1,2,3,4-tetrahydrocarbazole;17-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-11-[4-(3a,8b-dimethyl-2,3-dihydro-1H-cyclopenta[b]indol-4-yl)phenyl]-N,N-dimethyl-14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-6-amine;13-[3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-N-dibenzofuran-4-yl-15,15-dimethyl-N-(2-phenylphenyl)-11-oxaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17(22),18,20,23,25,27-tridecaen-20-amine;11-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-N-dibenzofuran-4-yl-N-(2-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,9'-fluorene]-17-amine;9-[4-[11-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,9'-fluorene]-17-yl]phenyl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;5-N',9-N'-bis(4-tert-butylphenyl)-5-N',9-N'-bis(4-trimethylsilylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-5',9'-diamine;5-N',9-N'-bis(6-methyl-3-pyridinyl)-5-N',9-N'-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-5',9'-diamine.
What is the SMILES notation for 4a,9a-dimethyl-9-[4-[(E)-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-11-ylethenyl]phenyl]-1,2,3,4-tetrahydrocarbazole;17-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-11-[4-(3a,8b-dimethyl-2,3-dihydro-1H-cyclopenta[b]indol-4-yl)phenyl]-N,N-dimethyl-14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-6-amine;13-[3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-N-dibenzofuran-4-yl-15,15-dimethyl-N-(2-phenylphenyl)-11-oxaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17(22),18,20,23,25,27-tridecaen-20-amine;11-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-N-dibenzofuran-4-yl-N-(2-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,9'-fluorene]-17-amine;9-[4-[11-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,9'-fluorene]-17-yl]phenyl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;5-N',9-N'-bis(4-tert-butylphenyl)-5-N',9-N'-bis(4-trimethylsilylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-5',9'-diamine;5-N',9-N'-bis(6-methyl-3-pyridinyl)-5-N',9-N'-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-5',9'-diamine?
The canonical SMILES for 4a,9a-dimethyl-9-[4-[(E)-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-11-ylethenyl]phenyl]-1,2,3,4-tetrahydrocarbazole;17-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-11-[4-(3a,8b-dimethyl-2,3-dihydro-1H-cyclopenta[b]indol-4-yl)phenyl]-N,N-dimethyl-14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-6-amine;13-[3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-N-dibenzofuran-4-yl-15,15-dimethyl-N-(2-phenylphenyl)-11-oxaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17(22),18,20,23,25,27-tridecaen-20-amine;11-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-N-dibenzofuran-4-yl-N-(2-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,9'-fluorene]-17-amine;9-[4-[11-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,9'-fluorene]-17-yl]phenyl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;5-N',9-N'-bis(4-tert-butylphenyl)-5-N',9-N'-bis(4-trimethylsilylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-5',9'-diamine;5-N',9-N'-bis(6-methyl-3-pyridinyl)-5-N',9-N'-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-5',9'-diamine is CC(C)(C)c1ccc(N(c2ccc([Si](C)(C)C)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4ccc(C(C)(C)C)cc4)c4ccc([Si](C)(C)C)cc4)c4c(sc5ccccc54)c2-3)cc1.CC1(C)c2c(cc3c(oc4ccccc43)c2-c2cccc(N3c4ccccc4C4(C)CCCCC34C)c2)-c2c1c1ccc(N(c3ccccc3-c3ccccc3)c3cccc4c3oc3ccccc34)cc1c1ccccc21.CC12CCCCC1(C)N(c1ccc(-c3cc4c(c5c3oc3ccccc35)-c3ccc(N(c5ccccc5-c5ccccc5)c5cccc6c5oc5ccccc56)cc3C43c4ccccc4-c4ccccc43)cc1)c1ccccc12.CC12CCCCC1(C)N(c1ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5ccc(N6c7ccccc7C7(C)CCCCC67C)cc5)c5oc6ccccc6c5c3-4)cc1)c1ccccc12.CC12CCCCC1(C)N(c1ccc(/C=C/c3cc4c(c5c3oc3ccccc35)-c3ccccc3C43c4ccccc4-c4ccccc43)cc1)c1ccccc12.CN(C)c1ccc2c(c1)oc1c(-c3ccc(N4c5ccccc5C5(C)CCCC45C)cc3)cc3c(c12)-c1ccc(N2c4ccccc4C4(C)CCCCC24C)cc1C3(c1ccccc1)c1ccccc1.Cc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(C)nc4)c4c(sc5ccccc54)c2-3)cn1.
What is the InChIKey of 4a,9a-dimethyl-9-[4-[(E)-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-11-ylethenyl]phenyl]-1,2,3,4-tetrahydrocarbazole;17-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-11-[4-(3a,8b-dimethyl-2,3-dihydro-1H-cyclopenta[b]indol-4-yl)phenyl]-N,N-dimethyl-14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-6-amine;13-[3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-N-dibenzofuran-4-yl-15,15-dimethyl-N-(2-phenylphenyl)-11-oxaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17(22),18,20,23,25,27-tridecaen-20-amine;11-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-N-dibenzofuran-4-yl-N-(2-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,9'-fluorene]-17-amine;9-[4-[11-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,9'-fluorene]-17-yl]phenyl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;5-N',9-N'-bis(4-tert-butylphenyl)-5-N',9-N'-bis(4-trimethylsilylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-5',9'-diamine;5-N',9-N'-bis(6-methyl-3-pyridinyl)-5-N',9-N'-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-5',9'-diamine?
The InChIKey is NHNIPMQNVMGWEQ-OYDVRTBBSA-N. The full InChI is InChI=1S/C75H54N2O2.C73H56N2O2.C71H60N2O.C69H68N2SSi2.C67H46N4S.C66H61N3O.C53H41NO/c1-73-43-18-19-44-74(73,2)77(65-33-15-13-31-61(65)73)49-39-37-48(38-40-49)58-46-63-69(70-57-27-10-17-36-68(57)79-72(58)70)56-42-41-50(45-62(56)75(63)59-29-11-6-24-52(59)53-25-7-12-30-60(53)75)76(64-32-14-8-23-51(64)47-21-4-3-5-22-47)66-34-20-28-55-54-26-9-16-35-67(54)78-71(55)66;1-71(2)67-54-39-38-47(74(60-33-14-10-26-49(60)45-22-6-5-7-23-45)62-35-21-31-55-51-28-11-16-36-63(51)76-69(55)62)43-56(54)50-27-8-9-30-53(50)66(67)58-44-57-52-29-12-17-37-64(52)77-70(57)65(68(58)71)46-24-20-25-48(42-46)75-61-34-15-13-32-59(61)72(3)40-18-19-41-73(72,75)4;1-67-39-15-17-41-69(67,3)72(61-26-12-10-24-57(61)67)48-34-29-45(30-35-48)47-33-38-52-59(43-47)71(55-22-8-5-19-50(55)51-20-6-9-23-56(51)71)60-44-54(66-65(64(52)60)53-21-7-14-28-63(53)74-66)46-31-36-49(37-32-46)73-62-27-13-11-25-58(62)68(2)40-16-18-42-70(68,73)4;1-67(2,3)45-25-29-47(30-26-45)70(48-33-38-52(39-34-48)73(7,8)9)51-37-42-56-60(43-51)69(58-22-16-13-19-54(58)55-20-14-17-23-59(55)69)61-44-62(65-57-21-15-18-24-63(57)72-66(65)64(56)61)71(49-31-27-46(28-32-49)68(4,5)6)50-35-40-53(41-36-50)74(10,11)12;1-43-25-31-52(41-68-43)70(49-33-27-47(28-34-49)45-15-5-3-6-16-45)51-37-38-56-60(39-51)67(58-22-12-9-19-54(58)55-20-10-13-23-59(55)67)61-40-62(65-57-21-11-14-24-63(57)72-66(65)64(56)61)71(53-32-26-44(2)69-42-53)50-35-29-48(30-36-50)46-17-7-4-8-18-46;1-62-36-17-18-38-64(62,3)69(57-27-16-14-25-53(57)62)48-33-34-49-54(40-48)66(44-20-9-7-10-21-44,45-22-11-8-12-23-45)55-42-51(61-60(59(49)55)50-35-32-47(67(5)6)41-58(50)70-61)43-28-30-46(31-29-43)68-56-26-15-13-24-52(56)63(2)37-19-39-65(63,68)4;1-51-31-13-14-32-52(51,2)54(46-23-11-10-22-44(46)51)36-29-26-34(27-30-36)25-28-35-33-45-48(49-40-18-6-12-24-47(40)55-50(35)49)39-17-5-9-21-43(39)53(45)41-19-7-3-15-37(41)38-16-4-8-20-42(38)53/h3-17,20-42,45-46H,18-19,43-44H2,1-2H3;5-17,20-39,42-44H,18-19,40-41H2,1-4H3;5-14,19-38,43-44H,15-18,39-42H2,1-4H3;13-44H,1-12H3;3-42H,1-2H3;7-16,20-35,40-42H,17-19,36-39H2,1-6H3;3-12,15-30,33H,13-14,31-32H2,1-2H3/b;;;;;;28-25+.
What are the key properties of 4a,9a-dimethyl-9-[4-[(E)-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-11-ylethenyl]phenyl]-1,2,3,4-tetrahydrocarbazole;17-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-11-[4-(3a,8b-dimethyl-2,3-dihydro-1H-cyclopenta[b]indol-4-yl)phenyl]-N,N-dimethyl-14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-6-amine;13-[3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-N-dibenzofuran-4-yl-15,15-dimethyl-N-(2-phenylphenyl)-11-oxaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17(22),18,20,23,25,27-tridecaen-20-amine;11-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-N-dibenzofuran-4-yl-N-(2-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,9'-fluorene]-17-amine;9-[4-[11-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,9'-fluorene]-17-yl]phenyl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;5-N',9-N'-bis(4-tert-butylphenyl)-5-N',9-N'-bis(4-trimethylsilylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-5',9'-diamine;5-N',9-N'-bis(6-methyl-3-pyridinyl)-5-N',9-N'-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-5',9'-diamine?
4a,9a-dimethyl-9-[4-[(E)-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-11-ylethenyl]phenyl]-1,2,3,4-tetrahydrocarbazole;17-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-11-[4-(3a,8b-dimethyl-2,3-dihydro-1H-cyclopenta[b]indol-4-yl)phenyl]-N,N-dimethyl-14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-6-amine;13-[3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-N-dibenzofuran-4-yl-15,15-dimethyl-N-(2-phenylphenyl)-11-oxaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17(22),18,20,23,25,27-tridecaen-20-amine;11-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-N-dibenzofuran-4-yl-N-(2-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,9'-fluorene]-17-amine;9-[4-[11-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,9'-fluorene]-17-yl]phenyl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;5-N',9-N'-bis(4-tert-butylphenyl)-5-N',9-N'-bis(4-trimethylsilylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-5',9'-diamine;5-N',9-N'-bis(6-methyl-3-pyridinyl)-5-N',9-N'-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-5',9'-diamine has a molecular weight of 6538.71 g/mol, XLogP of 127.49, 41 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,9a-dimethyl-9-[4-[(E)-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-11-ylethenyl]phenyl]-1,2,3,4-tetrahydrocarbazole;17-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-11-[4-(3a,8b-dimethyl-2,3-dihydro-1H-cyclopenta[b]indol-4-yl)phenyl]-N,N-dimethyl-14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-6-amine;13-[3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-N-dibenzofuran-4-yl-15,15-dimethyl-N-(2-phenylphenyl)-11-oxaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17(22),18,20,23,25,27-tridecaen-20-amine;11-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-N-dibenzofuran-4-yl-N-(2-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,9'-fluorene]-17-amine;9-[4-[11-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,9'-fluorene]-17-yl]phenyl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;5-N',9-N'-bis(4-tert-butylphenyl)-5-N',9-N'-bis(4-trimethylsilylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-5',9'-diamine;5-N',9-N'-bis(6-methyl-3-pyridinyl)-5-N',9-N'-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-5',9'-diamine is sourced from PubChem (CID 159782461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).