C183H136N6 — CID 162265706
9,9-dimethyl-2-N,2-N-dinaphthalen-2-yl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine;9,9-dimethyl-2-N-naphthalen-2-yl-2-N-phenanthren-9-yl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine;9,9-dimethyl-2-N-naphthalen-2-yl-7-N-phenyl-2-N-(4-phenylphenyl)-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine (PubChem CID 162265706) has the molecular formula C183H136N6 and a molecular weight of 2419.14 g/mol. Its IUPAC name is 9,9-dimethyl-2-N,2-N-dinaphthalen-2-yl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine;9,9-dimethyl-2-N-naphthalen-2-yl-2-N-phenanthren-9-yl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine;9,9-dimethyl-2-N-naphthalen-2-yl-7-N-phenyl-2-N-(4-phenylphenyl)-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine.
| Compound Name | 9,9-dimethyl-2-N,2-N-dinaphthalen-2-yl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine;9,9-dimethyl-2-N-naphthalen-2-yl-2-N-phenanthren-9-yl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine;9,9-dimethyl-2-N-naphthalen-2-yl-7-N-phenyl-2-N-(4-phenylphenyl)-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine |
|---|---|
| PubChem CID | 162265706 |
| Molecular Formula | C183H136N6 |
| Molecular Weight | 2419.14 g/mol |
| Exact Mass | 2417.08 |
| IUPAC Name | 9,9-dimethyl-2-N,2-N-dinaphthalen-2-yl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine;9,9-dimethyl-2-N-naphthalen-2-yl-2-N-phenanthren-9-yl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine;9,9-dimethyl-2-N-naphthalen-2-yl-7-N-phenyl-2-N-(4-phenylphenyl)-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine |
| SMILES | CC1(C)c2cc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccccc4c3)cc21.CC1(C)c2cc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)ccc2-c2ccc(N(c3ccc4ccccc4c3)c3cc4ccccc4c4ccccc34)cc21.CC1(C)c2cc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)ccc2-c2ccc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)cc21 |
| InChI | InChI=1S/C63H46N2.C61H46N2.C59H44N2/c1-63(2)60-41-53(64(50-20-7-4-8-21-50)51-32-29-47(30-33-51)46-27-25-45(26-28-46)43-15-5-3-6-16-43)35-37-57(60)58-38-36-54(42-61(58)63)65(52-34-31-44-17-9-10-18-48(44)39-52)62-40-49-19-11-12-22-55(49)56-23-13-14-24-59(56)62;1-61(2)59-41-55(62(51-20-10-5-11-21-51)52-31-28-49(29-32-52)47-24-22-46(23-25-47)43-14-6-3-7-15-43)36-38-57(59)58-39-37-56(42-60(58)61)63(54-35-30-45-18-12-13-19-50(45)40-54)53-33-26-48(27-34-53)44-16-8-4-9-17-44;1-59(2)57-39-53(60(49-19-7-4-8-20-49)50-29-25-46(26-30-50)45-23-21-44(22-24-45)41-13-5-3-6-14-41)33-35-55(57)56-36-34-54(40-58(56)59)61(51-31-27-42-15-9-11-17-47(42)37-51)52-32-28-43-16-10-12-18-48(43)38-52/h3-42H,1-2H3;3-42H,1-2H3;3-40H,1-2H3 |
| InChIKey | ZZWJSVPHVIYACU-UHFFFAOYSA-N |
| XLogP | 51.39 |
| TPSA | 19.44 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 189 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2419.14 |
| LogP ≤ 5 | 51.39 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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