C230H185N7OS — CID 163899545
N-(4-carbazol-9-ylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine;N,N-dinaphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine;N-naphthalen-2-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine;N-naphthalen-2-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-naphthalen-2-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-3-amine (PubChem CID 163899545) has the molecular formula C230H185N7OS and a molecular weight of 3095.12 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine;N,N-dinaphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine;N-naphthalen-2-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine;N-naphthalen-2-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-naphthalen-2-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-3-amine.
| Compound Name | N-(4-carbazol-9-ylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine;N,N-dinaphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine;N-naphthalen-2-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine;N-naphthalen-2-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-naphthalen-2-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-3-amine |
|---|---|
| PubChem CID | 163899545 |
| Molecular Formula | C230H185N7OS |
| Molecular Weight | 3095.12 g/mol |
| Exact Mass | 3092.44 |
| IUPAC Name | N-(4-carbazol-9-ylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine;N,N-dinaphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine;N-naphthalen-2-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine;N-naphthalen-2-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-naphthalen-2-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-3-amine |
| SMILES | c1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)c4ccc5ccccc5c4)cc32)cc1.c1ccc2c(c1)-c1cc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4ccccc4c3)ccc1C21C2CC3CC(C2)CC1C3.c1ccc2c(c1)-c1cc(N(c3ccc4ccccc4c3)c3ccc4c(c3)oc3ccccc34)ccc1C21C2CC3CC(C2)CC1C3.c1ccc2c(c1)-c1cc(N(c3ccc4ccccc4c3)c3ccc4c(c3)sc3ccccc34)ccc1C21C2CC3CC(C2)CC1C3.c1ccc2c(c1)-c1cc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)ccc1C21C2CC3CC(C2)CC1C3 |
| InChI | InChI=1S/2C50H40N2.C44H35NO.C44H35NS.C42H35N/c1-2-10-35-30-40(18-17-34(35)9-1)51(38-19-21-39(22-20-38)52-48-15-7-4-12-43(48)44-13-5-8-16-49(44)52)41-23-24-47-45(31-41)42-11-3-6-14-46(42)50(47)36-26-32-25-33(28-36)29-37(50)27-32;1-2-12-38(13-3-1)52-48-17-9-7-15-43(48)44-22-20-41(31-49(44)52)51(39-19-18-34-10-4-5-11-35(34)29-39)40-21-23-47-45(30-40)42-14-6-8-16-46(42)50(47)36-25-32-24-33(27-36)28-37(50)26-32;2*1-2-8-30-24-33(14-13-29(30)7-1)45(35-15-17-38-37-10-4-6-12-42(37)46-43(38)26-35)34-16-18-41-39(25-34)36-9-3-5-11-40(36)44(41)31-20-27-19-28(22-31)23-32(44)21-27;1-3-9-31-24-35(15-13-29(31)7-1)43(36-16-14-30-8-2-4-10-32(30)25-36)37-17-18-41-39(26-37)38-11-5-6-12-40(38)42(41)33-20-27-19-28(22-33)23-34(42)21-27/h1-24,30-33,36-37H,25-29H2;1-23,29-33,36-37H,24-28H2;2*1-18,24-28,31-32H,19-23H2;1-18,24-28,33-34H,19-23H2 |
| InChIKey | QIPQTQMPMBZDEH-UHFFFAOYSA-N |
| XLogP | 61.78 |
| TPSA | 39.20 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 239 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3095.12 |
| LogP ≤ 5 | 61.78 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |