C513H348N2O — CID 162136329
9-(9,9-dimethylfluoren-2-yl)-2,7-bis(3-phenylnaphthalen-2-yl)phenanthrene;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,10-dinaphthalen-2-yl-N-phenyl-7-(3-phenylnaphthalen-2-yl)phenanthren-2-amine;9-(9,9-dimethylfluoren-2-yl)-2-(2-phenylnaphthalen-1-yl)-7-(3-phenylnaphthalen-2-yl)phenanthrene;9-(9,9-dimethylfluoren-2-yl)-7-(3-phenylnaphthalen-2-yl)-2-(2-phenylphenyl)phenanthrene;9-(9,9-dimethylfluoren-2-yl)-7-(3-phenylnaphthalen-2-yl)-2-(3-phenylphenyl)phenanthrene;9,10-dinaphthalen-2-yl-N,N-diphenyl-7-(3-phenylnaphthalen-2-yl)phenanthren-2-amine;[4-[9,10-dinaphthalen-2-yl-7-(3-phenylnaphthalen-2-yl)phenanthren-2-yl]phenyl]-phenylmethanone;9,10-dinaphthalen-2-yl-2-(3-phenylnaphthalen-2-yl)-7-(4-tritylphenyl)phenanthrene (PubChem CID 162136329) has the molecular formula C513H348N2O and a molecular weight of 6556.44 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-2-yl)-2,7-bis(3-phenylnaphthalen-2-yl)phenanthrene;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,10-dinaphthalen-2-yl-N-phenyl-7-(3-phenylnaphthalen-2-yl)phenanthren-2-amine;9-(9,9-dimethylfluoren-2-yl)-2-(2-phenylnaphthalen-1-yl)-7-(3-phenylnaphthalen-2-yl)phenanthrene;9-(9,9-dimethylfluoren-2-yl)-7-(3-phenylnaphthalen-2-yl)-2-(2-phenylphenyl)phenanthrene;9-(9,9-dimethylfluoren-2-yl)-7-(3-phenylnaphthalen-2-yl)-2-(3-phenylphenyl)phenanthrene;9,10-dinaphthalen-2-yl-N,N-diphenyl-7-(3-phenylnaphthalen-2-yl)phenanthren-2-amine;[4-[9,10-dinaphthalen-2-yl-7-(3-phenylnaphthalen-2-yl)phenanthren-2-yl]phenyl]-phenylmethanone;9,10-dinaphthalen-2-yl-2-(3-phenylnaphthalen-2-yl)-7-(4-tritylphenyl)phenanthrene.
| Compound Name | 9-(9,9-dimethylfluoren-2-yl)-2,7-bis(3-phenylnaphthalen-2-yl)phenanthrene;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,10-dinaphthalen-2-yl-N-phenyl-7-(3-phenylnaphthalen-2-yl)phenanthren-2-amine;9-(9,9-dimethylfluoren-2-yl)-2-(2-phenylnaphthalen-1-yl)-7-(3-phenylnaphthalen-2-yl)phenanthrene;9-(9,9-dimethylfluoren-2-yl)-7-(3-phenylnaphthalen-2-yl)-2-(2-phenylphenyl)phenanthrene;9-(9,9-dimethylfluoren-2-yl)-7-(3-phenylnaphthalen-2-yl)-2-(3-phenylphenyl)phenanthrene;9,10-dinaphthalen-2-yl-N,N-diphenyl-7-(3-phenylnaphthalen-2-yl)phenanthren-2-amine;[4-[9,10-dinaphthalen-2-yl-7-(3-phenylnaphthalen-2-yl)phenanthren-2-yl]phenyl]-phenylmethanone;9,10-dinaphthalen-2-yl-2-(3-phenylnaphthalen-2-yl)-7-(4-tritylphenyl)phenanthrene |
|---|---|
| PubChem CID | 162136329 |
| Molecular Formula | C513H348N2O |
| Molecular Weight | 6556.44 g/mol |
| Exact Mass | 6550.72 |
| IUPAC Name | 9-(9,9-dimethylfluoren-2-yl)-2,7-bis(3-phenylnaphthalen-2-yl)phenanthrene;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,10-dinaphthalen-2-yl-N-phenyl-7-(3-phenylnaphthalen-2-yl)phenanthren-2-amine;9-(9,9-dimethylfluoren-2-yl)-2-(2-phenylnaphthalen-1-yl)-7-(3-phenylnaphthalen-2-yl)phenanthrene;9-(9,9-dimethylfluoren-2-yl)-7-(3-phenylnaphthalen-2-yl)-2-(2-phenylphenyl)phenanthrene;9-(9,9-dimethylfluoren-2-yl)-7-(3-phenylnaphthalen-2-yl)-2-(3-phenylphenyl)phenanthrene;9,10-dinaphthalen-2-yl-N,N-diphenyl-7-(3-phenylnaphthalen-2-yl)phenanthren-2-amine;[4-[9,10-dinaphthalen-2-yl-7-(3-phenylnaphthalen-2-yl)phenanthren-2-yl]phenyl]-phenylmethanone;9,10-dinaphthalen-2-yl-2-(3-phenylnaphthalen-2-yl)-7-(4-tritylphenyl)phenanthrene |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3cc4cc(-c5c(-c6ccccc6)ccc6ccccc56)ccc4c4ccc(-c5cc6ccccc6cc5-c5ccccc5)cc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc4cc(-c5cc6ccccc6cc5-c5ccccc5)ccc4c4ccc(-c5cc6ccccc6cc5-c5ccccc5)cc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc4cc(-c5cccc(-c6ccccc6)c5)ccc4c4ccc(-c5cc6ccccc6cc5-c5ccccc5)cc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc4cc(-c5ccccc5-c5ccccc5)ccc4c4ccc(-c5cc6ccccc6cc5-c5ccccc5)cc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)c(-c4ccc6ccccc6c4)c(-c4ccc6ccccc6c4)c4cc(-c6cc7ccccc7cc6-c6ccccc6)ccc45)cc3)cc21.O=C(c1ccccc1)c1ccc(-c2ccc3c(c2)c(-c2ccc4ccccc4c2)c(-c2ccc4ccccc4c2)c2cc(-c4cc5ccccc5cc4-c4ccccc4)ccc23)cc1.c1ccc(-c2cc3ccccc3cc2-c2ccc3c(c2)c(-c2ccc4ccccc4c2)c(-c2ccc4ccccc4c2)c2cc(-c4ccc(C(c5ccccc5)(c5ccccc5)c5ccccc5)cc4)ccc23)cc1.c1ccc(-c2cc3ccccc3cc2-c2ccc3c(c2)c(-c2ccc4ccccc4c2)c(-c2ccc4ccccc4c2)c2cc(N(c4ccccc4)c4ccccc4)ccc23)cc1 |
| InChI | InChI=1S/C77H53N.C75H50.C63H40O.C62H41N.2C61H42.2C57H40/c1-77(2)73-28-16-15-27-67(73)68-41-35-58(48-74(68)77)52-33-37-63(38-34-52)78(62-25-7-4-8-26-62)64-39-42-66-65-40-36-59(70-46-57-24-14-13-23-56(57)45-69(70)53-19-5-3-6-20-53)47-71(65)75(60-31-29-50-17-9-11-21-54(50)43-60)76(72(66)49-64)61-32-30-51-18-10-12-22-55(51)44-61;1-5-21-54(22-6-1)69-47-57-25-17-18-26-58(57)48-70(69)60-40-44-68-67-43-39-59(53-37-41-66(42-38-53)75(63-27-7-2-8-28-63,64-29-9-3-10-30-64)65-31-11-4-12-32-65)49-71(67)73(61-35-33-51-19-13-15-23-55(51)45-61)74(72(68)50-60)62-36-34-52-20-14-16-24-56(52)46-62;64-63(45-17-5-2-6-18-45)46-27-23-43(24-28-46)51-31-33-55-56-34-32-52(58-38-50-22-12-11-21-49(50)37-57(58)44-15-3-1-4-16-44)40-60(56)62(54-30-26-42-14-8-10-20-48(42)36-54)61(59(55)39-51)53-29-25-41-13-7-9-19-47(41)35-53;1-4-18-44(19-5-1)57-38-47-22-14-15-23-48(47)39-58(57)49-32-34-55-56-35-33-54(63(52-24-6-2-7-25-52)53-26-8-3-9-27-53)41-60(56)62(51-31-29-43-17-11-13-21-46(43)37-51)61(59(55)40-49)50-30-28-42-16-10-12-20-45(42)36-50;1-61(2)59-24-14-13-23-51(59)52-30-27-47(38-60(52)61)57-37-48-31-45(55-34-43-21-11-9-19-41(43)32-53(55)39-15-5-3-6-16-39)25-28-49(48)50-29-26-46(36-58(50)57)56-35-44-22-12-10-20-42(44)33-54(56)40-17-7-4-8-18-40;1-61(2)58-24-14-13-23-52(58)53-32-27-45(38-59(53)61)56-37-47-33-46(60-49-22-12-11-19-41(49)25-30-50(60)39-15-5-3-6-16-39)28-29-48(47)51-31-26-44(36-57(51)56)55-35-43-21-10-9-20-42(43)34-54(55)40-17-7-4-8-18-40;1-57(2)55-24-14-13-23-49(55)50-30-27-43(36-56(50)57)53-35-44-31-41(46-22-12-11-21-45(46)37-15-5-3-6-16-37)25-28-47(44)48-29-26-42(34-54(48)53)52-33-40-20-10-9-19-39(40)32-51(52)38-17-7-4-8-18-38;1-57(2)55-23-12-11-22-49(55)50-29-26-45(36-56(50)57)53-35-46-31-43(40-21-13-20-39(30-40)37-14-5-3-6-15-37)24-27-47(46)48-28-25-44(34-54(48)53)52-33-42-19-10-9-18-41(42)32-51(52)38-16-7-4-8-17-38/h3-49H,1-2H3;1-50H;1-40H;1-41H;2*3-38H,1-2H3;2*3-36H,1-2H3 |
| InChIKey | ZJILYRXSPOYABA-UHFFFAOYSA-N |
| XLogP | 141.80 |
| TPSA | 23.55 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 51 |
| Heavy Atoms | 516 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 6556.44 |
| LogP ≤ 5 | 141.80 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |