C326H228 — CID 160949121
2,11-bis(4-methylphenyl)-6-phenyltriphenylene;2,6-bis[3-(3-phenylphenyl)phenyl]triphenylene;2,7-bis[2-(2-phenylphenyl)phenyl]triphenylene;2,11-bis[2-(3-phenylphenyl)phenyl]triphenylene;2,3,6,11-tetrakis(2-methylphenyl)-7,10-bis(2-methyl-4-phenylphenyl)triphenylene;2,6,10-tris(3-phenylphenyl)triphenylene (PubChem CID 160949121) has the molecular formula C326H228 and a molecular weight of 4145.41 g/mol. Its IUPAC name is 2,11-bis(4-methylphenyl)-6-phenyltriphenylene;2,6-bis[3-(3-phenylphenyl)phenyl]triphenylene;2,7-bis[2-(2-phenylphenyl)phenyl]triphenylene;2,11-bis[2-(3-phenylphenyl)phenyl]triphenylene;2,3,6,11-tetrakis(2-methylphenyl)-7,10-bis(2-methyl-4-phenylphenyl)triphenylene;2,6,10-tris(3-phenylphenyl)triphenylene.
| Compound Name | 2,11-bis(4-methylphenyl)-6-phenyltriphenylene;2,6-bis[3-(3-phenylphenyl)phenyl]triphenylene;2,7-bis[2-(2-phenylphenyl)phenyl]triphenylene;2,11-bis[2-(3-phenylphenyl)phenyl]triphenylene;2,3,6,11-tetrakis(2-methylphenyl)-7,10-bis(2-methyl-4-phenylphenyl)triphenylene;2,6,10-tris(3-phenylphenyl)triphenylene |
|---|---|
| PubChem CID | 160949121 |
| Molecular Formula | C326H228 |
| Molecular Weight | 4145.41 g/mol |
| Exact Mass | 4141.78 |
| IUPAC Name | 2,11-bis(4-methylphenyl)-6-phenyltriphenylene;2,6-bis[3-(3-phenylphenyl)phenyl]triphenylene;2,7-bis[2-(2-phenylphenyl)phenyl]triphenylene;2,11-bis[2-(3-phenylphenyl)phenyl]triphenylene;2,3,6,11-tetrakis(2-methylphenyl)-7,10-bis(2-methyl-4-phenylphenyl)triphenylene;2,6,10-tris(3-phenylphenyl)triphenylene |
| SMILES | Cc1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4c4ccc(-c5ccc(C)cc5)cc4c3c2)cc1.Cc1ccccc1-c1cc2c(cc1-c1ccccc1C)c1cc(-c3ccccc3C)c(-c3ccc(-c4ccccc4)cc3C)cc1c1cc(-c3ccc(-c4ccccc4)cc3C)c(-c3ccccc3C)cc21.c1ccc(-c2cccc(-c3ccc4c(c3)c3ccc(-c5cccc(-c6ccccc6)c5)cc3c3ccc(-c5cccc(-c6ccccc6)c5)cc43)c2)cc1.c1ccc(-c2cccc(-c3cccc(-c4ccc5c(c4)c4ccccc4c4ccc(-c6cccc(-c7cccc(-c8ccccc8)c7)c6)cc45)c3)c2)cc1.c1ccc(-c2cccc(-c3ccccc3-c3ccc4c5ccccc5c5ccc(-c6ccccc6-c6cccc(-c7ccccc7)c6)cc5c4c3)c2)cc1.c1ccc(-c2ccccc2-c2ccccc2-c2ccc3c4ccc(-c5ccccc5-c5ccccc5-c5ccccc5)cc4c4ccccc4c3c2)cc1 |
| InChI | InChI=1S/C72H56.4C54H36.C38H28/c1-45-21-13-17-29-55(45)61-39-67-68(40-62(61)56-30-18-14-22-46(56)2)70-42-64(58-32-20-16-24-48(58)4)66(60-36-34-54(38-50(60)6)52-27-11-8-12-28-52)44-72(70)71-43-65(63(41-69(67)71)57-31-19-15-23-47(57)3)59-35-33-53(37-49(59)5)51-25-9-7-10-26-51;1-4-13-37(14-5-1)40-19-10-22-43(31-40)46-25-28-49-52(34-46)50-29-26-47(44-23-11-20-41(32-44)38-15-6-2-7-16-38)36-54(50)51-30-27-48(35-53(49)51)45-24-12-21-42(33-45)39-17-8-3-9-18-39;1-3-17-37(18-4-1)41-21-7-11-25-45(41)47-27-13-9-23-43(47)39-31-33-51-52-34-32-40(36-54(52)50-30-16-15-29-49(50)53(51)35-39)44-24-10-14-28-48(44)46-26-12-8-22-42(46)38-19-5-2-6-20-38;1-3-15-37(16-4-1)39-19-13-21-41(33-39)45-23-7-9-25-47(45)43-29-31-51-49-27-11-12-28-50(49)52-32-30-44(36-54(52)53(51)35-43)48-26-10-8-24-46(48)42-22-14-20-40(34-42)38-17-5-2-6-18-38;1-3-13-37(14-4-1)39-17-9-19-41(31-39)43-21-11-23-45(33-43)47-27-29-51-49-25-7-8-26-50(49)53-35-48(28-30-52(53)54(51)36-47)46-24-12-22-44(34-46)42-20-10-18-40(32-42)38-15-5-2-6-16-38;1-25-8-12-28(13-9-25)31-17-20-34-33-19-16-30(27-6-4-3-5-7-27)22-36(33)35-21-18-32(24-38(35)37(34)23-31)29-14-10-26(2)11-15-29/h7-44H,1-6H3;4*1-36H;3-24H,1-2H3 |
| InChIKey | SVNDMQGGHWMNQU-UHFFFAOYSA-N |
| XLogP | 91.69 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 35 |
| Heavy Atoms | 326 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4145.41 |
| LogP ≤ 5 | 91.69 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |