C193H135N5O3 — CID 163577680
N-(4-dibenzofuran-4-ylphenyl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-7-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-amine;9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;9-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole (PubChem CID 163577680) has the molecular formula C193H135N5O3 and a molecular weight of 2572.23 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-7-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-amine;9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;9-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole.
| Compound Name | N-(4-dibenzofuran-4-ylphenyl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-7-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-amine;9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;9-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole |
|---|---|
| PubChem CID | 163577680 |
| Molecular Formula | C193H135N5O3 |
| Molecular Weight | 2572.23 g/mol |
| Exact Mass | 2570.06 |
| IUPAC Name | N-(4-dibenzofuran-4-ylphenyl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-7-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-amine;9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;9-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole |
| SMILES | CC1(C)c2cccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)c2-c2ccc3ccccc3c21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4ccc6ccccc6c45)cc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(ccc5ccc6c7ccccc7oc6c54)c3)cc21.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccc(-c8ccccc8)cc7)c6c5)ccc43)cc2)cc1 |
| InChI | InChI=1S/2C49H35NO.C48H32N2.C47H33NO/c1-49(2)43-19-11-20-44(46(43)42-31-26-34-14-6-7-15-38(34)47(42)49)50(36-27-22-33(23-28-36)32-12-4-3-5-13-32)37-29-24-35(25-30-37)39-17-10-18-41-40-16-8-9-21-45(40)51-48(39)41;1-49(2)44-18-9-8-15-41(44)42-29-28-38(31-45(42)49)50(36-24-19-33(20-25-36)32-11-4-3-5-12-32)37-26-21-35(22-27-37)40-16-10-17-43-47-39-14-7-6-13-34(39)23-30-46(47)51-48(40)43;1-3-11-33(12-4-1)35-19-25-39(26-20-35)49-46-18-10-8-16-42(46)44-31-37(24-30-47(44)49)38-23-29-43-41-15-7-9-17-45(41)50(48(43)32-38)40-27-21-36(22-28-40)34-13-5-2-6-14-34;1-47(2)42-14-8-6-12-38(42)39-27-24-36(29-43(39)47)48(34-21-18-31(19-22-34)30-10-4-3-5-11-30)35-23-26-37-33(28-35)17-16-32-20-25-41-40-13-7-9-15-44(40)49-46(41)45(32)37/h2*3-31H,1-2H3;1-32H;3-29H,1-2H3 |
| InChIKey | GEWYYQKJRCBPAR-UHFFFAOYSA-N |
| XLogP | 53.92 |
| TPSA | 59.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 201 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2572.23 |
| LogP ≤ 5 | 53.92 |
| 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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