C316H211N9 — CID 159427640
11-(6-benzo[b][1]benzazepin-11-yl-9,10-dinaphthalen-1-ylanthracen-2-yl)benzo[b][1]benzazepine;11-[6-benzo[b][1]benzazepin-11-yl-9-phenyl-10-(4-phenylphenyl)anthracen-2-yl]benzo[b][1]benzazepine;9-(9,10-dinaphthalen-2-ylanthracen-2-yl)carbazole;9,10-dinaphthalen-2-yl-N,N-diphenylanthracen-2-amine;9-naphthalen-1-yl-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine;N-naphthalen-1-yl-N,9,10-triphenylanthracen-2-amine (PubChem CID 159427640) has the molecular formula C316H211N9 and a molecular weight of 4134.23 g/mol. Its IUPAC name is 11-(6-benzo[b][1]benzazepin-11-yl-9,10-dinaphthalen-1-ylanthracen-2-yl)benzo[b][1]benzazepine;11-[6-benzo[b][1]benzazepin-11-yl-9-phenyl-10-(4-phenylphenyl)anthracen-2-yl]benzo[b][1]benzazepine;9-(9,10-dinaphthalen-2-ylanthracen-2-yl)carbazole;9,10-dinaphthalen-2-yl-N,N-diphenylanthracen-2-amine;9-naphthalen-1-yl-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine;N-naphthalen-1-yl-N,9,10-triphenylanthracen-2-amine.
| Compound Name | 11-(6-benzo[b][1]benzazepin-11-yl-9,10-dinaphthalen-1-ylanthracen-2-yl)benzo[b][1]benzazepine;11-[6-benzo[b][1]benzazepin-11-yl-9-phenyl-10-(4-phenylphenyl)anthracen-2-yl]benzo[b][1]benzazepine;9-(9,10-dinaphthalen-2-ylanthracen-2-yl)carbazole;9,10-dinaphthalen-2-yl-N,N-diphenylanthracen-2-amine;9-naphthalen-1-yl-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine;N-naphthalen-1-yl-N,9,10-triphenylanthracen-2-amine |
|---|---|
| PubChem CID | 159427640 |
| Molecular Formula | C316H211N9 |
| Molecular Weight | 4134.23 g/mol |
| Exact Mass | 4130.68 |
| IUPAC Name | 11-(6-benzo[b][1]benzazepin-11-yl-9,10-dinaphthalen-1-ylanthracen-2-yl)benzo[b][1]benzazepine;11-[6-benzo[b][1]benzazepin-11-yl-9-phenyl-10-(4-phenylphenyl)anthracen-2-yl]benzo[b][1]benzazepine;9-(9,10-dinaphthalen-2-ylanthracen-2-yl)carbazole;9,10-dinaphthalen-2-yl-N,N-diphenylanthracen-2-amine;9-naphthalen-1-yl-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine;N-naphthalen-1-yl-N,9,10-triphenylanthracen-2-amine |
| SMILES | C1=Cc2ccccc2N(c2ccc3c(-c4ccc(-c5ccccc5)cc4)c4cc(N5c6ccccc6C=Cc6ccccc65)ccc4c(-c4ccccc4)c3c2)c2ccccc21.C1=Cc2ccccc2N(c2ccc3c(-c4cccc5ccccc45)c4cc(N5c6ccccc6C=Cc6ccccc65)ccc4c(-c4cccc5ccccc45)c3c2)c2ccccc21.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(N(c4ccccc4)c4cccc5ccccc45)ccc23)cc1.c1ccc(-c2ccc(-c3c4cc(N(c5ccccc5)c5ccccc5)ccc4c(-c4cccc5ccccc45)c4cc(N(c5ccccc5)c5ccccc5)ccc34)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-n5c6ccccc6c6ccccc65)ccc34)ccc2c1 |
| InChI | InChI=1S/C62H40N2.C60H40N2.C60H42N2.C46H29N.C46H31N.C42H29N/c1-7-23-49-41(15-1)21-13-25-51(49)61-53-37-35-48(64-59-29-11-5-19-45(59)33-34-46-20-6-12-30-60(46)64)40-56(53)62(52-26-14-22-42-16-2-8-24-50(42)52)54-38-36-47(39-55(54)61)63-57-27-9-3-17-43(57)31-32-44-18-4-10-28-58(44)63;1-3-15-41(16-4-1)42-27-33-48(34-28-42)60-52-38-36-49(61-55-23-11-7-17-43(55)29-30-44-18-8-12-24-56(44)61)39-53(52)59(47-21-5-2-6-22-47)51-37-35-50(40-54(51)60)62-57-25-13-9-19-45(57)31-32-46-20-10-14-26-58(46)62;1-6-19-43(20-7-1)44-33-35-46(36-34-44)59-55-39-37-52(62(49-27-12-4-13-28-49)50-29-14-5-15-30-50)42-58(55)60(54-32-18-22-45-21-16-17-31-53(45)54)56-40-38-51(41-57(56)59)61(47-23-8-2-9-24-47)48-25-10-3-11-26-48;1-3-13-32-27-34(23-21-30(32)11-1)45-39-17-5-6-18-40(39)46(35-24-22-31-12-2-4-14-33(31)28-35)42-29-36(25-26-41(42)45)47-43-19-9-7-15-37(43)38-16-8-10-20-44(38)47;1-3-17-38(18-4-1)47(39-19-5-2-6-20-39)40-27-28-43-44(31-40)46(37-26-24-33-14-8-10-16-35(33)30-37)42-22-12-11-21-41(42)45(43)36-25-23-32-13-7-9-15-34(32)29-36;1-4-16-31(17-5-1)41-36-24-12-13-25-37(36)42(32-18-6-2-7-19-32)39-29-34(27-28-38(39)41)43(33-21-8-3-9-22-33)40-26-14-20-30-15-10-11-23-35(30)40/h1-40H;1-40H;1-42H;1-29H;1-31H;1-29H |
| InChIKey | LQOKXEZGRXPMKE-UHFFFAOYSA-N |
| XLogP | 89.31 |
| TPSA | 30.85 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 325 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4134.23 |
| LogP ≤ 5 | 89.31 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |