C202H160N8S4 — CID 159694922
5-N,10-N-bis(4-cyclohexylphenyl)-5-N,10-N-diphenylnaphtho[2,1-b][1]benzothiole-5,10-diamine;5-N,10-N-diphenyl-5-N,10-N-bis(2-phenylphenyl)naphtho[2,1-b][1]benzothiole-5,10-diamine;5-N,10-N-diphenyl-5-N,10-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzothiole-5,10-diamine;5-N,10-N-diphenyl-5-N,10-N-bis(4-propan-2-ylphenyl)naphtho[2,1-b][1]benzothiole-5,10-diamine (PubChem CID 159694922) has the molecular formula C202H160N8S4 and a molecular weight of 2827.83 g/mol. Its IUPAC name is 5-N,10-N-bis(4-cyclohexylphenyl)-5-N,10-N-diphenylnaphtho[2,1-b][1]benzothiole-5,10-diamine;5-N,10-N-diphenyl-5-N,10-N-bis(2-phenylphenyl)naphtho[2,1-b][1]benzothiole-5,10-diamine;5-N,10-N-diphenyl-5-N,10-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzothiole-5,10-diamine;5-N,10-N-diphenyl-5-N,10-N-bis(4-propan-2-ylphenyl)naphtho[2,1-b][1]benzothiole-5,10-diamine.
| Compound Name | 5-N,10-N-bis(4-cyclohexylphenyl)-5-N,10-N-diphenylnaphtho[2,1-b][1]benzothiole-5,10-diamine;5-N,10-N-diphenyl-5-N,10-N-bis(2-phenylphenyl)naphtho[2,1-b][1]benzothiole-5,10-diamine;5-N,10-N-diphenyl-5-N,10-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzothiole-5,10-diamine;5-N,10-N-diphenyl-5-N,10-N-bis(4-propan-2-ylphenyl)naphtho[2,1-b][1]benzothiole-5,10-diamine |
|---|---|
| PubChem CID | 159694922 |
| Molecular Formula | C202H160N8S4 |
| Molecular Weight | 2827.83 g/mol |
| Exact Mass | 2825.16 |
| IUPAC Name | 5-N,10-N-bis(4-cyclohexylphenyl)-5-N,10-N-diphenylnaphtho[2,1-b][1]benzothiole-5,10-diamine;5-N,10-N-diphenyl-5-N,10-N-bis(2-phenylphenyl)naphtho[2,1-b][1]benzothiole-5,10-diamine;5-N,10-N-diphenyl-5-N,10-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzothiole-5,10-diamine;5-N,10-N-diphenyl-5-N,10-N-bis(4-propan-2-ylphenyl)naphtho[2,1-b][1]benzothiole-5,10-diamine |
| SMILES | CC(C)c1ccc(N(c2ccccc2)c2ccc3sc4cc(N(c5ccccc5)c5ccc(C(C)C)cc5)c5ccccc5c4c3c2)cc1.c1ccc(-c2cccc(N(c3ccccc3)c3ccc4sc5cc(N(c6ccccc6)c6cccc(-c7ccccc7)c6)c6ccccc6c5c4c3)c2)cc1.c1ccc(-c2ccccc2N(c2ccccc2)c2ccc3sc4cc(N(c5ccccc5)c5ccccc5-c5ccccc5)c5ccccc5c4c3c2)cc1.c1ccc(N(c2ccc(C3CCCCC3)cc2)c2ccc3sc4cc(N(c5ccccc5)c5ccc(C6CCCCC6)cc5)c5ccccc5c4c3c2)cc1 |
| InChI | InChI=1S/2C52H36N2S.C52H48N2S.C46H40N2S/c1-5-19-37(20-6-1)42-27-15-17-31-47(42)53(39-23-9-3-10-24-39)41-33-34-50-46(35-41)52-45-30-14-13-29-44(45)49(36-51(52)55-50)54(40-25-11-4-12-26-40)48-32-18-16-28-43(48)38-21-7-2-8-22-38;1-5-17-37(18-6-1)39-21-15-27-43(33-39)53(41-23-9-3-10-24-41)45-31-32-50-48(35-45)52-47-30-14-13-29-46(47)49(36-51(52)55-50)54(42-25-11-4-12-26-42)44-28-16-22-40(34-44)38-19-7-2-8-20-38;1-5-15-37(16-6-1)39-25-29-43(30-26-39)53(41-19-9-3-10-20-41)45-33-34-50-48(35-45)52-47-24-14-13-23-46(47)49(36-51(52)55-50)54(42-21-11-4-12-22-42)44-31-27-40(28-32-44)38-17-7-2-8-18-38;1-31(2)33-19-23-37(24-20-33)47(35-13-7-5-8-14-35)39-27-28-44-42(29-39)46-41-18-12-11-17-40(41)43(30-45(46)49-44)48(36-15-9-6-10-16-36)38-25-21-34(22-26-38)32(3)4/h2*1-36H;3-4,9-14,19-38H,1-2,5-8,15-18H2;5-32H,1-4H3 |
| InChIKey | MWWPUQXWGGIDGH-UHFFFAOYSA-N |
| XLogP | 61.60 |
| TPSA | 25.92 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 214 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2827.83 |
| LogP ≤ 5 | 61.60 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |