C174H111N9 — CID 158811809
9-naphthalen-2-yl-14-phenyl-5-[9-(3-phenylphenyl)carbazol-3-yl]-9,14-diazapentacyclo[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-2-yl-11-phenyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indolo[3,2-b]carbazole;5-naphthalen-2-yl-12-phenyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indolo[3,2-c]carbazole (PubChem CID 158811809) has the molecular formula C174H111N9 and a molecular weight of 2327.86 g/mol. Its IUPAC name is 9-naphthalen-2-yl-14-phenyl-5-[9-(3-phenylphenyl)carbazol-3-yl]-9,14-diazapentacyclo[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-2-yl-11-phenyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indolo[3,2-b]carbazole;5-naphthalen-2-yl-12-phenyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indolo[3,2-c]carbazole.
| Compound Name | 9-naphthalen-2-yl-14-phenyl-5-[9-(3-phenylphenyl)carbazol-3-yl]-9,14-diazapentacyclo[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-2-yl-11-phenyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indolo[3,2-b]carbazole;5-naphthalen-2-yl-12-phenyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indolo[3,2-c]carbazole |
|---|---|
| PubChem CID | 158811809 |
| Molecular Formula | C174H111N9 |
| Molecular Weight | 2327.86 g/mol |
| Exact Mass | 2325.90 |
| IUPAC Name | 9-naphthalen-2-yl-14-phenyl-5-[9-(3-phenylphenyl)carbazol-3-yl]-9,14-diazapentacyclo[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-2-yl-11-phenyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indolo[3,2-b]carbazole;5-naphthalen-2-yl-12-phenyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indolo[3,2-c]carbazole |
| SMILES | c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c(ccc7c8ccccc8n(-c8ccccc8)c75)n6-c5ccc6ccccc6c5)ccc43)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c7c8ccccc8n(-c8ccccc8)c7ccc5n6-c5ccc6ccccc6c5)ccc43)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccc6ccccc6c5)c5ccccc5n7-c5ccccc5)ccc43)c2)cc1 |
| InChI | InChI=1S/3C58H37N3/c1-3-14-38(15-4-1)41-18-13-21-45(34-41)59-52-24-11-10-23-48(52)50-36-42(27-31-54(50)59)43-28-32-55-51(37-43)57-56(60(55)46-29-26-39-16-7-8-17-40(39)35-46)33-30-49-47-22-9-12-25-53(47)61(58(49)57)44-19-5-2-6-20-44;1-3-14-38(15-4-1)41-18-13-21-45(32-41)60-54-25-12-9-22-47(54)49-34-42(27-30-55(49)60)43-28-31-56-50(35-43)52-37-57-51(48-23-10-11-24-53(48)59(57)44-19-5-2-6-20-44)36-58(52)61(56)46-29-26-39-16-7-8-17-40(39)33-46;1-3-14-38(15-4-1)41-18-13-21-45(34-41)60-51-24-11-9-22-47(51)49-36-42(27-30-53(49)60)43-28-31-54-50(37-43)58-56(61(54)46-29-26-39-16-7-8-17-40(39)35-46)33-32-55-57(58)48-23-10-12-25-52(48)59(55)44-19-5-2-6-20-44/h3*1-37H |
| InChIKey | IUUCQLIPXLWDNK-UHFFFAOYSA-N |
| XLogP | 46.40 |
| TPSA | 44.37 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 183 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2327.86 |
| LogP ≤ 5 | 46.40 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |