C165H115N9 — CID 163614640
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-1'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-1'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-8'-amine (PubChem CID 163614640) has the molecular formula C165H115N9 and a molecular weight of 2223.80 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-1'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-1'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-8'-amine.
| Compound Name | N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-1'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-1'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-8'-amine |
|---|---|
| PubChem CID | 163614640 |
| Molecular Formula | C165H115N9 |
| Molecular Weight | 2223.80 g/mol |
| Exact Mass | 2221.93 |
| IUPAC Name | N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-1'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-1'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-8'-amine |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4C4(c6ccccc6-c6ccccc64)c4nc6ccccc6n4-5)cc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)nc3n4-c4ccccc4C34c3ccccc3-c3ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3C3(c5ccccc5-c5ccccc53)c3nc5ccccc5n3-4)cc21 |
| InChI | InChI=1S/C59H41N3.2C53H37N3/c1-58(2)48-20-9-6-17-44(48)47-36-31-41(37-51(47)58)40-29-34-43(35-30-40)61(42-32-27-39(28-33-42)38-15-4-3-5-16-38)54-25-14-26-55-56(54)59(57-60-52-23-12-13-24-53(52)62(55)57)49-21-10-7-18-45(49)46-19-8-11-22-50(46)59;1-52(2)42-20-9-6-17-38(42)41-32-31-37(33-45(41)52)55(36-29-27-35(28-30-36)34-15-4-3-5-16-34)48-25-14-26-49-50(48)53(51-54-46-23-12-13-24-47(46)56(49)51)43-21-10-7-18-39(43)40-19-8-11-22-44(40)53;1-52(2)43-19-9-6-16-39(43)42-30-28-37(32-47(42)52)55(36-26-24-35(25-27-36)34-14-4-3-5-15-34)38-29-31-50-48(33-38)54-51-53(46-22-12-13-23-49(46)56(50)51)44-20-10-7-17-40(44)41-18-8-11-21-45(41)53/h3-37H,1-2H3;2*3-33H,1-2H3 |
| InChIKey | HIXWGCVKJNSLHI-UHFFFAOYSA-N |
| XLogP | 41.10 |
| TPSA | 63.18 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 174 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2223.80 |
| LogP ≤ 5 | 41.10 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |