C256H205N5S3 — CID 163601569
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine (PubChem CID 163601569) has the molecular formula C256H205N5S3 and a molecular weight of 3447.69 g/mol. Its IUPAC name is N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine.
| Compound Name | N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine |
|---|---|
| PubChem CID | 163601569 |
| Molecular Formula | C256H205N5S3 |
| Molecular Weight | 3447.69 g/mol |
| Exact Mass | 3444.54 |
| IUPAC Name | N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine |
| SMILES | c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)c3ccc4c(c3)-c3ccccc3C43C4CC5CC(C4)CC3C5)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc4c(c3)-c3ccccc3C43C4CC5CC(C4)CC3C5)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccc4c(c3)-c3ccccc3C43C4CC5CC(C4)CC3C5)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-c4ccc5ccccc5c4)c3)c3ccc4c(c3)-c3ccccc3C43C4CC5CC(C4)CC3C5)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-c4cccc5ccccc45)c3)c3ccc4c(c3)-c3ccccc3C43C4CC5CC(C4)CC3C5)cc2)cc1 |
| InChI | InChI=1S/3C52H41NS.2C50H41N/c1-2-9-35(10-3-1)36-17-21-40(22-18-36)53(41-23-19-37(20-24-41)43-13-8-14-46-45-12-5-7-16-50(45)54-51(43)46)42-25-26-49-47(32-42)44-11-4-6-15-48(44)52(49)38-28-33-27-34(30-38)31-39(52)29-33;1-2-8-35(9-3-1)36-14-19-41(20-15-36)53(42-21-16-37(17-22-42)38-18-25-51-47(31-38)45-11-5-7-13-50(45)54-51)43-23-24-49-46(32-43)44-10-4-6-12-48(44)52(49)39-27-33-26-34(29-39)30-40(52)28-33;1-2-8-35(9-3-1)36-14-19-41(20-15-36)53(42-21-16-37(17-22-42)38-18-24-46-45-11-5-7-13-50(45)54-51(46)31-38)43-23-25-49-47(32-43)44-10-4-6-12-48(44)52(49)39-27-33-26-34(29-39)30-40(52)28-33;1-2-10-35(11-3-1)36-20-22-41(23-21-36)51(42-15-8-14-38(31-42)45-18-9-13-37-12-4-5-16-44(37)45)43-24-25-49-47(32-43)46-17-6-7-19-48(46)50(49)39-27-33-26-34(29-39)30-40(50)28-33;1-2-9-35(10-3-1)37-19-21-43(22-20-37)51(44-14-8-13-39(31-44)40-18-17-36-11-4-5-12-38(36)30-40)45-23-24-49-47(32-45)46-15-6-7-16-48(46)50(49)41-26-33-25-34(28-41)29-42(50)27-33/h1-26,32-34,38-39H,27-31H2;2*1-25,31-34,39-40H,26-30H2;1-25,31-34,39-40H,26-30H2;1-24,30-34,41-42H,25-29H2 |
| InChIKey | GYCJKFMSTIBHGP-UHFFFAOYSA-N |
| XLogP | 70.48 |
| TPSA | 16.20 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 264 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3447.69 |
| LogP ≤ 5 | 70.48 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |