C364H257N3 — CID 159012550
2-[3,5-di(tetraphenylen-2-yl)phenyl]tetraphenylene;N-phenyl-N-[4-[4-(N-tetraphenylen-2-ylanilino)phenyl]phenyl]tetraphenylen-2-amine;N-phenyl-N-tetraphenylen-2-yltetraphenylen-2-amine;2,7,10,15-tetratert-butyl-3,6,11,14-tetraphenyltetraphenylene;2-tetraphenylen-2-yltetraphenylene;2,7,10,15-tetraphenyltetraphenylene (PubChem CID 159012550) has the molecular formula C364H257N3 and a molecular weight of 4673.08 g/mol. Its IUPAC name is 2-[3,5-di(tetraphenylen-2-yl)phenyl]tetraphenylene;N-phenyl-N-[4-[4-(N-tetraphenylen-2-ylanilino)phenyl]phenyl]tetraphenylen-2-amine;N-phenyl-N-tetraphenylen-2-yltetraphenylen-2-amine;2,7,10,15-tetratert-butyl-3,6,11,14-tetraphenyltetraphenylene;2-tetraphenylen-2-yltetraphenylene;2,7,10,15-tetraphenyltetraphenylene.
| Compound Name | 2-[3,5-di(tetraphenylen-2-yl)phenyl]tetraphenylene;N-phenyl-N-[4-[4-(N-tetraphenylen-2-ylanilino)phenyl]phenyl]tetraphenylen-2-amine;N-phenyl-N-tetraphenylen-2-yltetraphenylen-2-amine;2,7,10,15-tetratert-butyl-3,6,11,14-tetraphenyltetraphenylene;2-tetraphenylen-2-yltetraphenylene;2,7,10,15-tetraphenyltetraphenylene |
|---|---|
| PubChem CID | 159012550 |
| Molecular Formula | C364H257N3 |
| Molecular Weight | 4673.08 g/mol |
| Exact Mass | 4669.02 |
| IUPAC Name | 2-[3,5-di(tetraphenylen-2-yl)phenyl]tetraphenylene;N-phenyl-N-[4-[4-(N-tetraphenylen-2-ylanilino)phenyl]phenyl]tetraphenylen-2-amine;N-phenyl-N-tetraphenylen-2-yltetraphenylen-2-amine;2,7,10,15-tetratert-butyl-3,6,11,14-tetraphenyltetraphenylene;2-tetraphenylen-2-yltetraphenylene;2,7,10,15-tetraphenyltetraphenylene |
| SMILES | CC(C)(C)c1cc2c(cc1-c1ccccc1)-c1cc(-c3ccccc3)c(C(C)(C)C)cc1-c1cc(C(C)(C)C)c(-c3ccccc3)cc1-c1cc(-c3ccccc3)c(C(C)(C)C)cc1-2.c1ccc(-c2ccc3c(c2)-c2cc(-c4ccccc4)ccc2-c2ccc(-c4ccccc4)cc2-c2cc(-c4ccccc4)ccc2-3)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)-c4ccccc4-c4ccccc4-c4ccccc4-5)cc3)cc2)c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2ccccc2-3)cc1.c1ccc(N(c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2ccccc2-3)c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2ccccc2-3)cc1.c1ccc2c(c1)-c1ccccc1-c1ccc(-c3cc(-c4ccc5c(c4)-c4ccccc4-c4ccccc4-c4ccccc4-5)cc(-c4ccc5c(c4)-c4ccccc4-c4ccccc4-c4ccccc4-5)c3)cc1-c1ccccc1-2.c1ccc2c(c1)-c1ccccc1-c1ccc(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)cc1-c1ccccc1-2 |
| InChI | InChI=1S/C78H48.C72H48N2.C64H64.C54H35N.C48H30.C48H32/c1-4-22-58-55(19-1)61-25-7-10-31-67(61)73-40-37-49(46-76(73)70-34-16-13-28-64(58)70)52-43-53(50-38-41-74-68-32-11-8-26-62(68)56-20-2-5-23-59(56)65-29-14-17-35-71(65)77(74)47-50)45-54(44-52)51-39-42-75-69-33-12-9-27-63(69)57-21-3-6-24-60(57)66-30-15-18-36-72(66)78(75)48-51;1-3-19-51(20-4-1)73(55-43-45-69-65-31-13-11-27-61(65)57-23-7-9-25-59(57)63-29-15-17-33-67(63)71(69)47-55)53-39-35-49(36-40-53)50-37-41-54(42-38-50)74(52-21-5-2-6-22-52)56-44-46-70-66-32-14-12-28-62(66)58-24-8-10-26-60(58)64-30-16-18-34-68(64)72(70)48-56;1-61(2,3)57-37-53-49(33-45(57)41-25-17-13-18-26-41)50-34-46(42-27-19-14-20-28-42)59(63(7,8)9)39-55(50)56-40-60(64(10,11)12)48(44-31-23-16-24-32-44)36-52(56)51-35-47(43-29-21-15-22-30-43)58(38-54(51)53)62(4,5)6;1-2-16-36(17-3-1)55(37-30-32-51-47-26-10-8-22-43(47)39-18-4-6-20-41(39)45-24-12-14-28-49(45)53(51)34-37)38-31-33-52-48-27-11-9-23-44(48)40-19-5-7-21-42(40)46-25-13-15-29-50(46)54(52)35-38;1-3-15-35-33(13-1)37-17-5-7-21-41(37)45-27-25-31(29-47(45)43-23-11-9-19-39(35)43)32-26-28-46-42-22-8-6-18-38(42)34-14-2-4-16-36(34)40-20-10-12-24-44(40)48(46)30-32;1-5-13-33(14-6-1)37-21-25-41-42-26-22-39(35-17-9-3-10-18-35)31-47(42)48-32-40(36-19-11-4-12-20-36)24-28-44(48)43-27-23-38(30-46(43)45(41)29-37)34-15-7-2-8-16-34/h1-48H;1-48H;13-40H,1-12H3;1-35H;1-30H;1-32H/b61-55-,62-56-,63-57-,64-58-,65-59-,66-60-,73-67-,74-68-,75-69-,76-70-,77-71-,78-72-;61-57-,62-58-,63-59-,64-60-,69-65-,70-66-,71-67-,72-68-;50-49-,52-51-,54-53-,56-55-;43-39-,44-40-,45-41-,46-42-,51-47-,52-48-,53-49-,54-50-;37-33-,38-34-,39-35-,40-36-,45-41-,46-42-,47-43-,48-44-;42-41-,44-43-,46-45-,48-47- |
| InChIKey | JSRGLGDLGHPLHF-WDAPXLNLSA-N |
| XLogP | 102.19 |
| TPSA | 9.72 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 367 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4673.08 |
| LogP ≤ 5 | 102.19 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |