C203H134N4O4S — CID 167544998
N-(11,11-dimethylbenzo[b]fluoren-5-yl)-N-phenyl-9-(4-phenylnaphthalen-1-yl)dibenzofuran-2-amine;N-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-(4-naphthalen-2-ylphenyl)-N-phenyl-9-(4-phenylnaphthalen-1-yl)dibenzofuran-2-amine;N-phenyl-N-[9-(4-phenylnaphthalen-1-yl)dibenzothiophen-2-yl]naphtho[3,2-b][1]benzofuran-11-amine (PubChem CID 167544998) has the molecular formula C203H134N4O4S and a molecular weight of 2725.40 g/mol. Its IUPAC name is N-(11,11-dimethylbenzo[b]fluoren-5-yl)-N-phenyl-9-(4-phenylnaphthalen-1-yl)dibenzofuran-2-amine;N-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-(4-naphthalen-2-ylphenyl)-N-phenyl-9-(4-phenylnaphthalen-1-yl)dibenzofuran-2-amine;N-phenyl-N-[9-(4-phenylnaphthalen-1-yl)dibenzothiophen-2-yl]naphtho[3,2-b][1]benzofuran-11-amine.
| Compound Name | N-(11,11-dimethylbenzo[b]fluoren-5-yl)-N-phenyl-9-(4-phenylnaphthalen-1-yl)dibenzofuran-2-amine;N-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-(4-naphthalen-2-ylphenyl)-N-phenyl-9-(4-phenylnaphthalen-1-yl)dibenzofuran-2-amine;N-phenyl-N-[9-(4-phenylnaphthalen-1-yl)dibenzothiophen-2-yl]naphtho[3,2-b][1]benzofuran-11-amine |
|---|---|
| PubChem CID | 167544998 |
| Molecular Formula | C203H134N4O4S |
| Molecular Weight | 2725.40 g/mol |
| Exact Mass | 2723.01 |
| IUPAC Name | N-(11,11-dimethylbenzo[b]fluoren-5-yl)-N-phenyl-9-(4-phenylnaphthalen-1-yl)dibenzofuran-2-amine;N-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-(4-naphthalen-2-ylphenyl)-N-phenyl-9-(4-phenylnaphthalen-1-yl)dibenzofuran-2-amine;N-phenyl-N-[9-(4-phenylnaphthalen-1-yl)dibenzothiophen-2-yl]naphtho[3,2-b][1]benzofuran-11-amine |
| SMILES | CC1(C)c2ccccc2-c2c1cc1ccccc1c2N(c1ccccc1)c1ccc2oc3cccc(-c4ccc(-c5ccccc5)c5ccccc45)c3c2c1.c1ccc(-c2ccc(-c3cccc4oc5ccc(N(c6ccccc6)c6ccc(-c7ccc8ccccc8c7)cc6)cc5c34)c3ccccc23)cc1.c1ccc(-c2ccc(-c3cccc4sc5ccc(N(c6ccccc6)c6c7ccccc7cc7oc8ccccc8c67)cc5c34)c3ccccc23)cc1.c1ccc(-c2ccc(N(c3ccc4oc5cccc(-c6ccc(-c7ccc8ccccc8c7)cc6)c5c4c3)c3cccc4ccccc34)cc2)cc1 |
| InChI | InChI=1S/C53H37NO.C50H31NOS.2C50H33NO/c1-53(2)46-26-14-13-24-44(46)51-47(53)32-35-18-9-10-21-39(35)52(51)54(36-19-7-4-8-20-36)37-28-31-48-45(33-37)50-43(25-15-27-49(50)55-48)42-30-29-38(34-16-5-3-6-17-34)40-22-11-12-23-41(40)42;1-3-14-32(15-4-1)36-27-28-40(39-21-10-9-20-38(36)39)41-23-13-25-47-48(41)43-31-35(26-29-46(43)53-47)51(34-17-5-2-6-18-34)50-37-19-8-7-16-33(37)30-45-49(50)42-22-11-12-24-44(42)52-45;1-3-13-36(14-4-1)42-29-30-45(44-19-10-9-18-43(42)44)46-20-11-21-49-50(46)47-33-41(28-31-48(47)52-49)51(39-16-5-2-6-17-39)40-26-24-35(25-27-40)38-23-22-34-12-7-8-15-37(34)32-38;1-2-10-34(11-3-1)36-26-28-42(29-27-36)51(47-18-8-15-38-13-6-7-16-44(38)47)43-30-31-48-46(33-43)50-45(17-9-19-49(50)52-48)39-23-20-37(21-24-39)41-25-22-35-12-4-5-14-40(35)32-41/h3-33H,1-2H3;1-31H;2*1-33H |
| InChIKey | BREJBCIZULKBHO-UHFFFAOYSA-N |
| XLogP | 58.79 |
| TPSA | 65.52 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 212 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2725.40 |
| LogP ≤ 5 | 58.79 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |