C214H141N5 — CID 161188931
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-diphenylfluoren-4-yl)-7,7-diphenyl-N-(4-phenylphenyl)benzo[g]fluoren-9-amine (PubChem CID 161188931) has the molecular formula C214H141N5 and a molecular weight of 2782.52 g/mol. Its IUPAC name is N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-diphenylfluoren-4-yl)-7,7-diphenyl-N-(4-phenylphenyl)benzo[g]fluoren-9-amine.
| Compound Name | N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-diphenylfluoren-4-yl)-7,7-diphenyl-N-(4-phenylphenyl)benzo[g]fluoren-9-amine |
|---|---|
| PubChem CID | 161188931 |
| Molecular Formula | C214H141N5 |
| Molecular Weight | 2782.52 g/mol |
| Exact Mass | 2780.12 |
| IUPAC Name | N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-diphenylfluoren-4-yl)-7,7-diphenyl-N-(4-phenylphenyl)benzo[g]fluoren-9-amine |
| SMILES | c1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccc5ccccc5c3-4)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cccc32)cc1 |
| InChI | InChI=1S/2C74H48N2.C66H45N/c1-3-22-51(23-4-1)73(52-24-5-2-6-25-52)66-36-16-10-32-62(66)72-67(73)37-20-40-71(72)75(53-43-41-49(42-44-53)50-21-19-26-54(47-50)76-69-38-17-11-30-60(69)61-31-12-18-39-70(61)76)55-45-46-59-58-29-9-15-35-65(58)74(68(59)48-55)63-33-13-7-27-56(63)57-28-8-14-34-64(57)74;1-3-20-51(21-4-1)73(52-22-5-2-6-23-52)66-33-16-10-29-62(66)72-67(73)34-19-37-71(72)75(53-42-38-49(39-43-53)50-40-44-54(45-41-50)76-69-35-17-11-27-60(69)61-28-12-18-36-70(61)76)55-46-47-59-58-26-9-15-32-65(58)74(68(59)48-55)63-30-13-7-24-56(63)57-25-8-14-31-64(57)74;1-6-21-46(22-7-1)47-37-40-53(41-38-47)67(62-36-20-35-59-64(62)56-33-18-19-34-58(56)65(59,49-24-8-2-9-25-49)50-26-10-3-11-27-50)54-42-43-57-61(45-54)66(51-28-12-4-13-29-51,52-30-14-5-15-31-52)60-44-39-48-23-16-17-32-55(48)63(57)60/h2*1-48H;1-45H |
| InChIKey | UTLMZDRSXLCPIY-UHFFFAOYSA-N |
| XLogP | 53.96 |
| TPSA | 19.58 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 219 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2782.52 |
| LogP ≤ 5 | 53.96 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |