C161H104N4 — CID 161072223
5-naphthalen-1-yl-11-phenyl-2-(9-phenylcarbazol-3-yl)-11H-indeno[1,2-b]carbazole;9-naphthalen-1-yl-14-phenyl-5-(9-phenyl-9H-fluoren-3-yl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;5-naphthalen-1-yl-7-phenyl-2-(9-phenyl-9H-fluoren-3-yl)-7H-indeno[2,1-b]carbazole (PubChem CID 161072223) has the molecular formula C161H104N4 and a molecular weight of 2094.63 g/mol. Its IUPAC name is 5-naphthalen-1-yl-11-phenyl-2-(9-phenylcarbazol-3-yl)-11H-indeno[1,2-b]carbazole;9-naphthalen-1-yl-14-phenyl-5-(9-phenyl-9H-fluoren-3-yl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;5-naphthalen-1-yl-7-phenyl-2-(9-phenyl-9H-fluoren-3-yl)-7H-indeno[2,1-b]carbazole.
| Compound Name | 5-naphthalen-1-yl-11-phenyl-2-(9-phenylcarbazol-3-yl)-11H-indeno[1,2-b]carbazole;9-naphthalen-1-yl-14-phenyl-5-(9-phenyl-9H-fluoren-3-yl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;5-naphthalen-1-yl-7-phenyl-2-(9-phenyl-9H-fluoren-3-yl)-7H-indeno[2,1-b]carbazole |
|---|---|
| PubChem CID | 161072223 |
| Molecular Formula | C161H104N4 |
| Molecular Weight | 2094.63 g/mol |
| Exact Mass | 2092.83 |
| IUPAC Name | 5-naphthalen-1-yl-11-phenyl-2-(9-phenylcarbazol-3-yl)-11H-indeno[1,2-b]carbazole;9-naphthalen-1-yl-14-phenyl-5-(9-phenyl-9H-fluoren-3-yl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;5-naphthalen-1-yl-7-phenyl-2-(9-phenyl-9H-fluoren-3-yl)-7H-indeno[2,1-b]carbazole |
| SMILES | c1ccc(C2c3ccccc3-c3cc(-c4ccc5c(c4)c4c6c(ccc4n5-c4cccc5ccccc45)C(c4ccccc4)c4ccccc4-6)ccc32)cc1.c1ccc(C2c3ccccc3-c3cc(-c4ccc5c(c4)c4cc6c(cc4n5-c4cccc5ccccc45)C(c4ccccc4)c4ccccc4-6)ccc32)cc1.c1ccc(C2c3ccccc3-c3cc4c(cc32)c2cc(-c3ccc5c(c3)c3ccccc3n5-c3ccccc3)ccc2n4-c2cccc3ccccc23)cc1 |
| InChI | InChI=1S/2C54H35N.C53H34N2/c1-3-15-35(16-4-1)53-42-23-11-9-21-40(42)45-30-37(26-28-44(45)53)38-27-29-51-47(31-38)48-32-46-41-22-10-12-24-43(41)54(36-17-5-2-6-18-36)49(46)33-52(48)55(51)50-25-13-19-34-14-7-8-20-39(34)50;1-3-15-35(16-4-1)51-41-22-10-9-21-40(41)46-32-37(26-28-44(46)51)38-27-30-49-47(33-38)54-50(55(49)48-25-13-19-34-14-7-8-20-39(34)48)31-29-45-52(36-17-5-2-6-18-36)42-23-11-12-24-43(42)53(45)54;1-3-15-35(16-4-1)53-42-23-10-9-21-40(42)43-33-52-46(32-47(43)53)45-31-37(27-29-51(45)55(52)48-25-13-17-34-14-7-8-20-39(34)48)36-26-28-50-44(30-36)41-22-11-12-24-49(41)54(50)38-18-5-2-6-19-38/h1-33,53-54H;1-33,51-52H;1-33,53H |
| InChIKey | UEUQIMMMRWCTQQ-UHFFFAOYSA-N |
| XLogP | 41.71 |
| TPSA | 19.72 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 165 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2094.63 |
| LogP ≤ 5 | 41.71 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |