C178H114N8S4 — CID 160959389
N,N-dinaphthalen-1-yl-5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-amine;N,N-dinaphthalen-2-yl-5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-amine;N-naphthalen-1-yl-N-naphthalen-2-yl-5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-amine;N-naphthalen-1-yl-5-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]carbazol-2-amine (PubChem CID 160959389) has the molecular formula C178H114N8S4 and a molecular weight of 2493.19 g/mol. Its IUPAC name is N,N-dinaphthalen-1-yl-5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-amine;N,N-dinaphthalen-2-yl-5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-amine;N-naphthalen-1-yl-N-naphthalen-2-yl-5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-amine;N-naphthalen-1-yl-5-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]carbazol-2-amine.
| Compound Name | N,N-dinaphthalen-1-yl-5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-amine;N,N-dinaphthalen-2-yl-5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-amine;N-naphthalen-1-yl-N-naphthalen-2-yl-5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-amine;N-naphthalen-1-yl-5-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]carbazol-2-amine |
|---|---|
| PubChem CID | 160959389 |
| Molecular Formula | C178H114N8S4 |
| Molecular Weight | 2493.19 g/mol |
| Exact Mass | 2490.80 |
| IUPAC Name | N,N-dinaphthalen-1-yl-5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-amine;N,N-dinaphthalen-2-yl-5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-amine;N-naphthalen-1-yl-N-naphthalen-2-yl-5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-amine;N-naphthalen-1-yl-5-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]carbazol-2-amine |
| SMILES | c1ccc(-c2ccc(N(c3ccc4c(c3)c3c5sc6ccccc6c5ccc3n4-c3ccccc3)c3cccc4ccccc34)cc2)cc1.c1ccc(-n2c3ccc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)cc3c3c4sc5ccccc5c4ccc32)cc1.c1ccc(-n2c3ccc(N(c4ccc5ccccc5c4)c4cccc5ccccc45)cc3c3c4sc5ccccc5c4ccc32)cc1.c1ccc(-n2c3ccc(N(c4cccc5ccccc45)c4cccc5ccccc45)cc3c3c4sc5ccccc5c4ccc32)cc1 |
| InChI | InChI=1S/C46H30N2S.3C44H28N2S/c1-3-12-31(13-4-1)32-22-24-35(25-23-32)47(41-20-11-15-33-14-7-8-18-37(33)41)36-26-28-42-40(30-36)45-43(48(42)34-16-5-2-6-17-34)29-27-39-38-19-9-10-21-44(38)49-46(39)45;1-2-16-31(17-3-1)45-40-26-24-32(28-37(40)43-41(45)27-25-36-35-20-8-9-23-42(35)47-44(36)43)46(38-21-10-14-29-12-4-6-18-33(29)38)39-22-11-15-30-13-5-7-19-34(30)39;1-2-14-33(15-3-1)46-40-24-22-36(28-39(40)43-41(46)25-23-38-37-16-8-9-17-42(37)47-44(38)43)45(34-20-18-29-10-4-6-12-31(29)26-34)35-21-19-30-11-5-7-13-32(30)27-35;1-2-15-32(16-3-1)46-40-25-23-34(28-38(40)43-41(46)26-24-37-36-18-8-9-20-42(36)47-44(37)43)45(33-22-21-29-11-4-5-13-31(29)27-33)39-19-10-14-30-12-6-7-17-35(30)39/h1-30H;3*1-28H |
| InChIKey | SWUVVHPXDGFIRG-UHFFFAOYSA-N |
| XLogP | 52.22 |
| TPSA | 32.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 190 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2493.19 |
| LogP ≤ 5 | 52.22 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |