C232H172N8 — CID 157496502
9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N-(4-naphthalen-1-ylphenyl)-7-N-phenylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N-(4-naphthalen-2-ylphenyl)-7-N-phenylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-7-N-phenyl-2-N-[4-(3-phenylphenyl)phenyl]fluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-7-N-phenyl-2-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine (PubChem CID 157496502) has the molecular formula C232H172N8 and a molecular weight of 3071.98 g/mol. Its IUPAC name is 9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N-(4-naphthalen-1-ylphenyl)-7-N-phenylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N-(4-naphthalen-2-ylphenyl)-7-N-phenylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-7-N-phenyl-2-N-[4-(3-phenylphenyl)phenyl]fluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-7-N-phenyl-2-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine.
| Compound Name | 9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N-(4-naphthalen-1-ylphenyl)-7-N-phenylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N-(4-naphthalen-2-ylphenyl)-7-N-phenylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-7-N-phenyl-2-N-[4-(3-phenylphenyl)phenyl]fluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-7-N-phenyl-2-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine |
|---|---|
| PubChem CID | 157496502 |
| Molecular Formula | C232H172N8 |
| Molecular Weight | 3071.98 g/mol |
| Exact Mass | 3069.37 |
| IUPAC Name | 9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N-(4-naphthalen-1-ylphenyl)-7-N-phenylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N-(4-naphthalen-2-ylphenyl)-7-N-phenylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-7-N-phenyl-2-N-[4-(3-phenylphenyl)phenyl]fluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-7-N-phenyl-2-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine |
| SMILES | CC1(C)c2cc(N(c3ccccc3)c3cccc4ccccc34)ccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3cccc4ccccc34)cc21.CC1(C)c2cc(N(c3ccccc3)c3cccc4ccccc34)ccc2-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc4ccccc34)cc21.CC1(C)c2cc(N(c3ccccc3)c3cccc4ccccc34)ccc2-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3cccc4ccccc34)cc21.CC1(C)c2cc(N(c3ccccc3)c3cccc4ccccc34)ccc2-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc4ccccc34)cc21 |
| InChI | InChI=1S/2C59H44N2.2C57H42N2/c1-59(2)55-39-49(60(47-24-7-4-8-25-47)57-28-14-20-43-18-9-11-26-51(43)57)34-36-53(55)54-37-35-50(40-56(54)59)61(58-29-15-21-44-19-10-12-27-52(44)58)48-32-30-42(31-33-48)46-23-13-22-45(38-46)41-16-5-3-6-17-41;1-59(2)55-39-49(60(47-21-7-4-8-22-47)57-25-13-19-45-17-9-11-23-51(45)57)35-37-53(55)54-38-36-50(40-56(54)59)61(58-26-14-20-46-18-10-12-24-52(46)58)48-33-31-44(32-34-48)43-29-27-42(28-30-43)41-15-5-3-6-16-41;1-57(2)53-37-45(58(43-21-4-3-5-22-43)55-27-13-19-40-16-7-10-24-49(40)55)33-35-51(53)52-36-34-46(38-54(52)57)59(56-28-14-20-41-17-8-11-25-50(41)56)44-31-29-42(30-32-44)48-26-12-18-39-15-6-9-23-47(39)48;1-57(2)53-37-47(58(45-20-4-3-5-21-45)55-24-12-18-41-15-8-10-22-49(41)55)32-34-51(53)52-35-33-48(38-54(52)57)59(56-25-13-19-42-16-9-11-23-50(42)56)46-30-28-40(29-31-46)44-27-26-39-14-6-7-17-43(39)36-44/h2*3-40H,1-2H3;2*3-38H,1-2H3 |
| InChIKey | BXWZAHZMGASEHW-UHFFFAOYSA-N |
| XLogP | 65.26 |
| TPSA | 25.92 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 240 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3071.98 |
| LogP ≤ 5 | 65.26 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |