C256H182N8Si4 — CID 165052941
N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-N,9-dinaphthalen-1-ylcarbazol-2-amine;N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-N-(2,6-diphenylphenyl)-9-phenylcarbazol-2-amine;N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-9-(2,6-diphenylphenyl)-N-phenylcarbazol-2-amine;N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-9-naphthalen-1-yl-N-phenylcarbazol-2-amine (PubChem CID 165052941) has the molecular formula C256H182N8Si4 and a molecular weight of 3482.67 g/mol. Its IUPAC name is N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-N,9-dinaphthalen-1-ylcarbazol-2-amine;N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-N-(2,6-diphenylphenyl)-9-phenylcarbazol-2-amine;N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-9-(2,6-diphenylphenyl)-N-phenylcarbazol-2-amine;N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-9-naphthalen-1-yl-N-phenylcarbazol-2-amine.
| Compound Name | N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-N,9-dinaphthalen-1-ylcarbazol-2-amine;N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-N-(2,6-diphenylphenyl)-9-phenylcarbazol-2-amine;N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-9-(2,6-diphenylphenyl)-N-phenylcarbazol-2-amine;N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-9-naphthalen-1-yl-N-phenylcarbazol-2-amine |
|---|---|
| PubChem CID | 165052941 |
| Molecular Formula | C256H182N8Si4 |
| Molecular Weight | 3482.67 g/mol |
| Exact Mass | 3479.36 |
| IUPAC Name | N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-N,9-dinaphthalen-1-ylcarbazol-2-amine;N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-N-(2,6-diphenylphenyl)-9-phenylcarbazol-2-amine;N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-9-(2,6-diphenylphenyl)-N-phenylcarbazol-2-amine;N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-9-naphthalen-1-yl-N-phenylcarbazol-2-amine |
| SMILES | C[Si]1(C)c2ccccc2C2(c3ccccc3-c3cccc4cccc2c34)c2ccc(N(c3ccc4c5ccccc5n(-c5cccc6ccccc56)c4c3)c3cccc4ccccc34)cc21.C[Si]1(C)c2ccccc2C2(c3ccccc3-c3cccc4cccc2c34)c2ccc(N(c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3c(-c4ccccc4)cccc3-c3ccccc3)cc21.C[Si]1(C)c2ccccc2C2(c3ccccc3-c3cccc4cccc2c34)c2ccc(N(c3ccccc3)c3ccc4c5ccccc5n(-c5c(-c6ccccc6)cccc5-c5ccccc5)c4c3)cc21.C[Si]1(C)c2ccccc2C2(c3ccccc3-c3cccc4cccc2c34)c2ccc(N(c3ccccc3)c3ccc4c5ccccc5n(-c5cccc6ccccc56)c4c3)cc21 |
| InChI | InChI=1S/2C67H48N2Si.C63H44N2Si.C59H42N2Si/c1-70(2)63-38-17-15-35-58(63)67(57-34-14-12-29-53(57)56-33-18-25-47-26-19-36-60(67)65(47)56)59-42-40-50(44-64(59)70)68(66-51(45-21-6-3-7-22-45)31-20-32-52(66)46-23-8-4-9-24-46)49-39-41-55-54-30-13-16-37-61(54)69(62(55)43-49)48-27-10-5-11-28-48;1-70(2)63-38-17-15-35-58(63)67(57-34-14-12-29-53(57)56-33-18-25-47-26-19-36-60(67)65(47)56)59-42-40-50(44-64(59)70)68(48-27-10-5-11-28-48)49-39-41-55-54-30-13-16-37-61(54)69(62(55)43-49)66-51(45-21-6-3-7-22-45)31-20-32-52(66)46-23-8-4-9-24-46;1-66(2)60-34-12-10-29-53(60)63(52-28-9-7-25-48(52)51-27-13-21-43-22-14-30-55(63)62(43)51)54-38-36-45(40-61(54)66)64(56-32-15-19-41-17-3-5-23-46(41)56)44-35-37-50-49-26-8-11-31-58(49)65(59(50)39-44)57-33-16-20-42-18-4-6-24-47(42)57;1-62(2)56-32-13-11-28-50(56)59(49-27-10-8-24-45(49)48-26-14-19-40-20-15-29-52(59)58(40)48)51-36-34-43(38-57(51)62)60(41-21-4-3-5-22-41)42-33-35-47-46-25-9-12-30-54(46)61(55(47)37-42)53-31-16-18-39-17-6-7-23-44(39)53/h2*3-44H,1-2H3;3-40H,1-2H3;3-38H,1-2H3 |
| InChIKey | PYNHPZKVTGRZAK-UHFFFAOYSA-N |
| XLogP | 61.75 |
| TPSA | 32.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 268 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3482.67 |
| LogP ≤ 5 | 61.75 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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