C220H162N8 — CID 159555776
N-(5-benzo[c]carbazol-7-yl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine;5-benzo[c]carbazol-7-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenylfluoren-2-amine;5-benzo[c]carbazol-7-yl-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine;5-benzo[c]carbazol-7-yl-9,9-dimethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 159555776) has the molecular formula C220H162N8 and a molecular weight of 2917.77 g/mol. Its IUPAC name is N-(5-benzo[c]carbazol-7-yl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine;5-benzo[c]carbazol-7-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenylfluoren-2-amine;5-benzo[c]carbazol-7-yl-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine;5-benzo[c]carbazol-7-yl-9,9-dimethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine.
| Compound Name | N-(5-benzo[c]carbazol-7-yl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine;5-benzo[c]carbazol-7-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenylfluoren-2-amine;5-benzo[c]carbazol-7-yl-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine;5-benzo[c]carbazol-7-yl-9,9-dimethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine |
|---|---|
| PubChem CID | 159555776 |
| Molecular Formula | C220H162N8 |
| Molecular Weight | 2917.77 g/mol |
| Exact Mass | 2915.29 |
| IUPAC Name | N-(5-benzo[c]carbazol-7-yl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine;5-benzo[c]carbazol-7-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenylfluoren-2-amine;5-benzo[c]carbazol-7-yl-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine;5-benzo[c]carbazol-7-yl-9,9-dimethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine |
| SMILES | CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3)ccc2-c2c(-n3c4ccccc4c4c5ccccc5ccc43)cccc21.CC1(C)c2cc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)ccc2-c2c(-n3c4ccccc4c4c5ccccc5ccc43)cccc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cccc(-n5c6ccccc6c6c7ccccc7ccc65)c3-4)c3ccc4c5ccccc5c5ccccc5c4c3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3cccc(-n5c6ccccc6c6c7ccccc7ccc65)c3-4)cc21 |
| InChI | InChI=1S/C64H46N2.C55H40N2.C52H40N2.C49H36N2/c1-63(2)54-24-13-11-22-49(54)50-33-30-41(37-56(50)63)65(40-29-32-48-46-20-8-7-18-44(46)45-19-9-10-21-47(45)53(48)36-40)42-31-34-51-57(38-42)64(3,4)55-25-15-27-59(62(51)55)66-58-26-14-12-23-52(58)61-43-17-6-5-16-39(43)28-35-60(61)66;1-55(2)47-24-15-27-51(57-50-26-14-12-23-46(50)53-44-22-10-9-20-40(44)30-35-52(53)57)54(47)45-34-33-42(36-48(45)55)56(41-31-28-38(29-32-41)37-16-5-3-6-17-37)49-25-13-11-21-43(49)39-18-7-4-8-19-39;1-51(2)42-21-12-10-19-38(42)39-28-26-35(31-44(39)51)53(34-16-6-5-7-17-34)36-27-29-40-45(32-36)52(3,4)43-22-14-24-47(50(40)43)54-46-23-13-11-20-41(46)49-37-18-9-8-15-33(37)25-30-48(49)54;1-49(2)42-21-13-23-45(51-44-22-12-11-20-41(44)47-39-19-10-9-16-35(39)26-31-46(47)51)48(42)40-30-29-38(32-43(40)49)50(36-17-7-4-8-18-36)37-27-24-34(25-28-37)33-14-5-3-6-15-33/h5-38H,1-4H3;3-36H,1-2H3;5-32H,1-4H3;3-32H,1-2H3 |
| InChIKey | MFYUCJAVJROANY-UHFFFAOYSA-N |
| XLogP | 59.93 |
| TPSA | 32.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 228 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2917.77 |
| LogP ≤ 5 | 59.93 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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