C414H260N12O5S — CID 159170916
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine;N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine;N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine;N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine (PubChem CID 159170916) has the molecular formula C414H260N12O5S and a molecular weight of 5514.78 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine;N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine;N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine;N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine.
| Compound Name | N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine;N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine;N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine;N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine |
|---|---|
| PubChem CID | 159170916 |
| Molecular Formula | C414H260N12O5S |
| Molecular Weight | 5514.78 g/mol |
| Exact Mass | 5510.02 |
| IUPAC Name | N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine;N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine;N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine;N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine |
| SMILES | c1ccc(-c2ccc3oc4ccc(-c5ccc(N(c6ccc(-c7cccc8c7c7ccccc7n8-c7ccccc7)cc6)c6cccc7c6C6(c8ccccc8-c8ccccc86)c6ccccc6-7)cc5)cc4c3c2)cc1.c1ccc(-c2cccc3c2oc2c(-c4ccc(N(c5ccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)cc5)c5cccc6c5C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)cccc23)cc1.c1ccc(-n2c3ccccc3c3c(-c4ccc(N(c5ccc(-c6ccc7c(c6)oc6ccccc67)cc5)c5cccc6c5C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)cccc32)cc1.c1ccc(-n2c3ccccc3c3c(-c4ccc(N(c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)c5cccc6c5C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)cccc32)cc1.c1ccc(-n2c3ccccc3c3c(-c4ccc(N(c5ccc(-c6cccc7c6sc6ccccc67)cc5)c5cccc6c5C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)cccc32)cc1.c1ccc(-n2c3ccccc3c3c(-c4ccc(N(c5ccc(-c6cccc7oc8ccccc8c67)cc5)c5cccc6c5C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)cccc32)cc1 |
| InChI | InChI=1S/2C73H46N2O.3C67H42N2O.C67H42N2S/c1-3-19-47(20-4-1)54-28-15-31-60-61-32-16-29-55(72(61)76-71(54)60)49-41-45-52(46-42-49)74(51-43-39-48(40-44-51)53-27-17-37-67-69(53)62-26-10-14-36-66(62)75(67)50-21-5-2-6-22-50)68-38-18-30-59-58-25-9-13-35-65(58)73(70(59)68)63-33-11-7-23-56(63)57-24-8-12-34-64(57)73;1-3-17-47(18-4-1)50-37-43-69-61(45-50)62-46-51(38-44-70(62)76-69)48-33-39-53(40-34-48)74(54-41-35-49(36-42-54)55-25-15-31-67-71(55)60-24-10-14-30-66(60)75(67)52-19-5-2-6-20-52)68-32-16-26-59-58-23-9-13-29-65(58)73(72(59)68)63-27-11-7-21-56(63)57-22-8-12-28-64(57)73;1-2-17-45(18-3-1)69-59-30-12-7-22-54(59)64-48(24-14-31-60(64)69)43-35-39-46(40-36-43)68(47-41-37-44(38-42-47)49-25-16-34-63-65(49)55-23-8-13-33-62(55)70-63)61-32-15-26-53-52-21-6-11-29-58(52)67(66(53)61)56-27-9-4-19-50(56)51-20-5-10-28-57(51)67;1-2-16-46(17-3-1)69-60-28-12-7-22-56(60)65-49(23-14-29-61(65)69)44-34-39-48(40-35-44)68(47-37-32-43(33-38-47)45-36-41-54-53-21-8-13-31-63(53)70-64(54)42-45)62-30-15-24-55-52-20-6-11-27-59(52)67(66(55)62)57-25-9-4-18-50(57)51-19-5-10-26-58(51)67;1-2-16-46(17-3-1)69-60-28-12-7-22-55(60)65-49(23-14-29-61(65)69)44-34-39-48(40-35-44)68(47-37-32-43(33-38-47)45-36-41-64-56(42-45)53-21-8-13-31-63(53)70-64)62-30-15-24-54-52-20-6-11-27-59(52)67(66(54)62)57-25-9-4-18-50(57)51-19-5-10-26-58(51)67;1-2-17-45(18-3-1)69-60-31-12-7-23-56(60)64-48(24-15-32-61(64)69)43-35-39-46(40-36-43)68(47-41-37-44(38-42-47)49-25-14-27-55-53-22-8-13-34-63(53)70-66(49)55)62-33-16-26-54-52-21-6-11-30-59(52)67(65(54)62)57-28-9-4-19-50(57)51-20-5-10-29-58(51)67/h2*1-46H;4*1-42H |
| InChIKey | KLRFXQXUKKGIDG-UHFFFAOYSA-N |
| XLogP | 110.78 |
| TPSA | 114.72 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 432 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5514.78 |
| LogP ≤ 5 | 110.78 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |