C228H144N4O4S2 — CID 158462960
N-(2,4-diphenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-amine;4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-ylphenyl)aniline;N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-ylphenyl)dibenzothiophen-2-amine;N-phenyl-N-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylphenyl)dibenzothiophen-3-amine (PubChem CID 158462960) has the molecular formula C228H144N4O4S2 and a molecular weight of 3067.82 g/mol. Its IUPAC name is N-(2,4-diphenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-amine;4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-ylphenyl)aniline;N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-ylphenyl)dibenzothiophen-2-amine;N-phenyl-N-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylphenyl)dibenzothiophen-3-amine.
| Compound Name | N-(2,4-diphenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-amine;4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-ylphenyl)aniline;N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-ylphenyl)dibenzothiophen-2-amine;N-phenyl-N-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylphenyl)dibenzothiophen-3-amine |
|---|---|
| PubChem CID | 158462960 |
| Molecular Formula | C228H144N4O4S2 |
| Molecular Weight | 3067.82 g/mol |
| Exact Mass | 3065.06 |
| IUPAC Name | N-(2,4-diphenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-amine;4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-ylphenyl)aniline;N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-ylphenyl)dibenzothiophen-2-amine;N-phenyl-N-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylphenyl)dibenzothiophen-3-amine |
| SMILES | c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5c4oc4ccccc54)cc3)c3ccc(-c4ccccc4-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4oc6ccccc6c4-5)cc3)c3ccc4sc5ccccc5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)-c3c(oc5ccccc35)C43c4ccccc4-c4ccccc43)c3ccc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1.c1ccc(N(c2cccc(-c3ccc4c(c3)-c3c(oc5ccccc35)C43c4ccccc4-c4ccccc43)c2)c2ccc3c(c2)sc2ccccc23)cc1 |
| InChI | InChI=1S/C63H41NO.C57H35NOS.C57H37NO.C51H31NOS/c1-3-15-42(16-4-1)43-27-34-48(35-28-43)64(50-38-31-46(32-39-50)52-20-8-7-19-51(52)45-17-5-2-6-18-45)49-36-29-44(30-37-49)47-33-40-54-53-21-9-12-24-57(53)63(59(54)41-47)58-25-13-10-22-55(58)61-56-23-11-14-26-60(56)65-62(61)63;1-2-12-36(13-3-1)37-22-27-40(28-23-37)58(42-31-33-54-48(35-42)45-16-7-11-21-53(45)60-54)41-29-24-38(25-30-41)39-26-32-46-51(34-39)57(56-55(46)47-17-6-10-20-52(47)59-56)49-18-8-4-14-43(49)44-15-5-9-19-50(44)57;1-4-16-38(17-5-1)40-28-31-43(32-29-40)58(53-35-30-42(39-18-6-2-7-19-39)36-48(53)41-20-8-3-9-21-41)44-33-34-52-49(37-44)55-47-24-12-15-27-54(47)59-56(55)57(52)50-25-13-10-22-45(50)46-23-11-14-26-51(46)57;1-2-14-34(15-3-1)52(36-26-27-40-39-19-7-11-24-47(39)54-48(40)31-36)35-16-12-13-32(29-35)33-25-28-45-42(30-33)49-41-20-6-10-23-46(41)53-50(49)51(45)43-21-8-4-17-37(43)38-18-5-9-22-44(38)51/h1-41H;1-35H;1-37H;1-31H |
| InChIKey | HFKHWESSKROISN-UHFFFAOYSA-N |
| XLogP | 62.39 |
| TPSA | 65.52 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 238 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3067.82 |
| LogP ≤ 5 | 62.39 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |