C338H234N12 — CID 158758874
N-(4-carbazol-9-ylphenyl)-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-(4-carbazol-9-ylphenyl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine;4-N-(2',7'-dimethyl-9,9'-spirobi[fluorene]-2-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;N,9-diphenyl-6-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine;N,9-diphenyl-6-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine;N,9-diphenyl-6-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine (PubChem CID 158758874) has the molecular formula C338H234N12 and a molecular weight of 4463.67 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-(4-carbazol-9-ylphenyl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine;4-N-(2',7'-dimethyl-9,9'-spirobi[fluorene]-2-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;N,9-diphenyl-6-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine;N,9-diphenyl-6-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine;N,9-diphenyl-6-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine.
| Compound Name | N-(4-carbazol-9-ylphenyl)-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-(4-carbazol-9-ylphenyl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine;4-N-(2',7'-dimethyl-9,9'-spirobi[fluorene]-2-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;N,9-diphenyl-6-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine;N,9-diphenyl-6-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine;N,9-diphenyl-6-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine |
|---|---|
| PubChem CID | 158758874 |
| Molecular Formula | C338H234N12 |
| Molecular Weight | 4463.67 g/mol |
| Exact Mass | 4459.87 |
| IUPAC Name | N-(4-carbazol-9-ylphenyl)-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-(4-carbazol-9-ylphenyl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine;4-N-(2',7'-dimethyl-9,9'-spirobi[fluorene]-2-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;N,9-diphenyl-6-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine;N,9-diphenyl-6-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine;N,9-diphenyl-6-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine |
| SMILES | CCc1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc31)c1cc(CC)ccc1-2.Cc1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc31)c1cc(C)ccc1-2.Cc1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc31)c1cc(C)ccc1-2.c1ccc(-c2ccc(-c3ccc4c(c3)c3cc(N(c5ccccc5)c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)ccc3n4-c3ccccc3)cc2)cc1.c1ccc(-c2cccc(-c3ccc4c(c3)c3cc(N(c5ccccc5)c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)ccc3n4-c3ccccc3)c2)cc1.c1ccc(-c2ccccc2-c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)ccc2n3-c2ccccc2)cc1 |
| InChI | InChI=1S/3C61H40N2.C53H40N2.C51H36N2.C51H38N2/c1-4-17-41(18-5-1)42-19-16-20-43(37-42)44-31-35-59-53(38-44)54-39-47(33-36-60(54)63(59)46-23-8-3-9-24-46)62(45-21-6-2-7-22-45)48-32-34-52-51-27-12-15-30-57(51)61(58(52)40-48)55-28-13-10-25-49(55)50-26-11-14-29-56(50)61;1-4-16-41(17-5-1)42-28-30-43(31-29-42)44-32-36-59-53(38-44)54-39-47(34-37-60(54)63(59)46-20-8-3-9-21-46)62(45-18-6-2-7-19-45)48-33-35-52-51-24-12-15-27-57(51)61(58(52)40-48)55-25-13-10-22-49(55)50-23-11-14-26-56(50)61;1-4-18-41(19-5-1)47-24-10-11-25-48(47)42-32-36-59-53(38-42)54-39-45(34-37-60(54)63(59)44-22-8-3-9-23-44)62(43-20-6-2-7-21-43)46-33-35-52-51-28-14-17-31-57(51)61(58(52)40-46)55-29-15-12-26-49(55)50-27-13-16-30-56(50)61;1-3-35-22-29-42-43-30-23-36(4-2)33-49(43)53(48(42)32-35)47-19-11-8-16-41(47)44-31-28-40(34-50(44)53)54(37-14-6-5-7-15-37)38-24-26-39(27-25-38)55-51-20-12-9-17-45(51)46-18-10-13-21-52(46)55;1-33-20-27-40-41-28-21-34(2)31-47(41)51(46(40)30-33)45-17-9-6-14-39(45)42-29-26-38(32-48(42)51)52(35-12-4-3-5-13-35)36-22-24-37(25-23-36)53-49-18-10-7-15-43(49)44-16-8-11-19-50(44)53;1-35-22-29-44-45-30-23-36(2)33-49(45)51(48(44)32-35)47-21-13-12-20-43(47)46-31-28-42(34-50(46)51)53(39-18-10-5-11-19-39)41-26-24-40(25-27-41)52(37-14-6-3-7-15-37)38-16-8-4-9-17-38/h3*1-40H;5-34H,3-4H2,1-2H3;3-32H,1-2H3;3-34H,1-2H3 |
| InChIKey | IOKKQNXNTVWMTC-UHFFFAOYSA-N |
| XLogP | 88.32 |
| TPSA | 47.33 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 350 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4463.67 |
| LogP ≤ 5 | 88.32 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |