C392H250 — CID 160916416
9-[2,5-bis(4-methylphenyl)-3,4,6-tri(phenanthren-9-yl)phenyl]phenanthrene;6-propyl-13-[2,4,5-tris(13-propylpentacen-6-yl)phenyl]pentacene;9-[2,4,5-tri(anthracen-9-yl)phenyl]anthracene;1-[2,4,5-tri(pyren-1-yl)phenyl]pyrene;5-[2,4,5-tri(tetracen-5-yl)phenyl]tetracene (PubChem CID 160916416) has the molecular formula C392H250 and a molecular weight of 4960.31 g/mol. Its IUPAC name is 9-[2,5-bis(4-methylphenyl)-3,4,6-tri(phenanthren-9-yl)phenyl]phenanthrene;6-propyl-13-[2,4,5-tris(13-propylpentacen-6-yl)phenyl]pentacene;9-[2,4,5-tri(anthracen-9-yl)phenyl]anthracene;1-[2,4,5-tri(pyren-1-yl)phenyl]pyrene;5-[2,4,5-tri(tetracen-5-yl)phenyl]tetracene.
| Compound Name | 9-[2,5-bis(4-methylphenyl)-3,4,6-tri(phenanthren-9-yl)phenyl]phenanthrene;6-propyl-13-[2,4,5-tris(13-propylpentacen-6-yl)phenyl]pentacene;9-[2,4,5-tri(anthracen-9-yl)phenyl]anthracene;1-[2,4,5-tri(pyren-1-yl)phenyl]pyrene;5-[2,4,5-tri(tetracen-5-yl)phenyl]tetracene |
|---|---|
| PubChem CID | 160916416 |
| Molecular Formula | C392H250 |
| Molecular Weight | 4960.31 g/mol |
| Exact Mass | 4955.96 |
| IUPAC Name | 9-[2,5-bis(4-methylphenyl)-3,4,6-tri(phenanthren-9-yl)phenyl]phenanthrene;6-propyl-13-[2,4,5-tris(13-propylpentacen-6-yl)phenyl]pentacene;9-[2,4,5-tri(anthracen-9-yl)phenyl]anthracene;1-[2,4,5-tri(pyren-1-yl)phenyl]pyrene;5-[2,4,5-tri(tetracen-5-yl)phenyl]tetracene |
| SMILES | CCCc1c2cc3ccccc3cc2c(-c2cc(-c3c4cc5ccccc5cc4c(CCC)c4cc5ccccc5cc34)c(-c3c4cc5ccccc5cc4c(CCC)c4cc5ccccc5cc34)cc2-c2c3cc4ccccc4cc3c(CCC)c3cc4ccccc4cc23)c2cc3ccccc3cc12.Cc1ccc(-c2c(-c3cc4ccccc4c4ccccc34)c(-c3cc4ccccc4c4ccccc34)c(-c3ccc(C)cc3)c(-c3cc4ccccc4c4ccccc34)c2-c2cc3ccccc3c3ccccc23)cc1.c1cc2ccc3ccc(-c4cc(-c5ccc6ccc7cccc8ccc5c6c78)c(-c5ccc6ccc7cccc8ccc5c6c78)cc4-c4ccc5ccc6cccc7ccc4c5c67)c4ccc(c1)c2c34.c1ccc2c(-c3cc(-c4c5ccccc5cc5ccccc45)c(-c4c5ccccc5cc5ccccc45)cc3-c3c4ccccc4cc4ccccc34)c3ccccc3cc2c1.c1ccc2cc3c(-c4cc(-c5c6ccccc6cc6cc7ccccc7cc56)c(-c5c6ccccc6cc6cc7ccccc7cc56)cc4-c4c5ccccc5cc5cc6ccccc6cc45)c4ccccc4cc3cc2c1 |
| InChI | InChI=1S/C106H78.C78H46.C76H50.C70H38.C62H38/c1-5-25-79-83-45-63-29-9-17-37-71(63)53-91(83)103(92-54-72-38-18-10-30-64(72)46-84(79)92)99-61-101(105-95-57-75-41-21-13-33-67(75)49-87(95)81(27-7-3)88-50-68-34-14-22-42-76(68)58-96(88)105)102(106-97-59-77-43-23-15-35-69(77)51-89(97)82(28-8-4)90-52-70-36-16-24-44-78(70)60-98(90)106)62-100(99)104-93-55-73-39-19-11-31-65(73)47-85(93)80(26-6-2)86-48-66-32-12-20-40-74(66)56-94(86)104;1-5-21-51-41-67-59(33-47(51)17-1)37-55-25-9-13-29-63(55)75(67)71-45-73(77-65-31-15-11-27-57(65)39-61-35-49-19-3-7-23-53(49)43-69(61)77)74(78-66-32-16-12-28-58(66)40-62-36-50-20-4-8-24-54(50)44-70(62)78)46-72(71)76-64-30-14-10-26-56(64)38-60-34-48-18-2-6-22-52(48)42-68(60)76;1-47-35-39-49(40-36-47)71-73(67-43-51-19-3-7-23-55(51)59-27-11-15-31-63(59)67)75(69-45-53-21-5-9-25-57(53)61-29-13-17-33-65(61)69)72(50-41-37-48(2)38-42-50)76(70-46-54-22-6-10-26-58(54)62-30-14-18-34-66(62)70)74(71)68-44-52-20-4-8-24-56(52)60-28-12-16-32-64(60)68;1-5-39-13-17-47-21-29-51(55-33-25-43(9-1)63(39)67(47)55)59-37-61(53-31-23-49-19-15-41-7-3-11-45-27-35-57(53)69(49)65(41)45)62(54-32-24-50-20-16-42-8-4-12-46-28-36-58(54)70(50)66(42)46)38-60(59)52-30-22-48-18-14-40-6-2-10-44-26-34-56(52)68(48)64(40)44;1-9-25-47-39(17-1)33-40-18-2-10-26-48(40)59(47)55-37-57(61-51-29-13-5-21-43(51)35-44-22-6-14-30-52(44)61)58(62-53-31-15-7-23-45(53)36-46-24-8-16-32-54(46)62)38-56(55)60-49-27-11-3-19-41(49)34-42-20-4-12-28-50(42)60/h9-24,29-62H,5-8,25-28H2,1-4H3;1-46H;3-46H,1-2H3;1-38H;1-38H |
| InChIKey | SRLPAGFMXHCUMK-UHFFFAOYSA-N |
| XLogP | 111.86 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 30 |
| Heavy Atoms | 392 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4960.31 |
| LogP ≤ 5 | 111.86 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |