C388H264N8 — CID 163518435
1-N,6-N-bis(3,5-diphenylphenyl)-1-N,6-N-bis[4-(2,6-diphenylphenyl)phenyl]pyrene-1,6-diamine;1-N,6-N-bis[3-(3,5-diphenylphenyl)phenyl]-1-N,6-N-bis[4-(3,5-diphenylphenyl)phenyl]pyrene-1,6-diamine;1-N,6-N-bis[3-(3,5-diphenylphenyl)phenyl]-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[4-(2,6-diphenylphenyl)phenyl]-1-N,6-N-bis(3-phenylphenyl)pyrene-1,6-diamine (PubChem CID 163518435) has the molecular formula C388H264N8 and a molecular weight of 5038.44 g/mol. Its IUPAC name is 1-N,6-N-bis(3,5-diphenylphenyl)-1-N,6-N-bis[4-(2,6-diphenylphenyl)phenyl]pyrene-1,6-diamine;1-N,6-N-bis[3-(3,5-diphenylphenyl)phenyl]-1-N,6-N-bis[4-(3,5-diphenylphenyl)phenyl]pyrene-1,6-diamine;1-N,6-N-bis[3-(3,5-diphenylphenyl)phenyl]-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[4-(2,6-diphenylphenyl)phenyl]-1-N,6-N-bis(3-phenylphenyl)pyrene-1,6-diamine.
| Compound Name | 1-N,6-N-bis(3,5-diphenylphenyl)-1-N,6-N-bis[4-(2,6-diphenylphenyl)phenyl]pyrene-1,6-diamine;1-N,6-N-bis[3-(3,5-diphenylphenyl)phenyl]-1-N,6-N-bis[4-(3,5-diphenylphenyl)phenyl]pyrene-1,6-diamine;1-N,6-N-bis[3-(3,5-diphenylphenyl)phenyl]-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[4-(2,6-diphenylphenyl)phenyl]-1-N,6-N-bis(3-phenylphenyl)pyrene-1,6-diamine |
|---|---|
| PubChem CID | 163518435 |
| Molecular Formula | C388H264N8 |
| Molecular Weight | 5038.44 g/mol |
| Exact Mass | 5034.09 |
| IUPAC Name | 1-N,6-N-bis(3,5-diphenylphenyl)-1-N,6-N-bis[4-(2,6-diphenylphenyl)phenyl]pyrene-1,6-diamine;1-N,6-N-bis[3-(3,5-diphenylphenyl)phenyl]-1-N,6-N-bis[4-(3,5-diphenylphenyl)phenyl]pyrene-1,6-diamine;1-N,6-N-bis[3-(3,5-diphenylphenyl)phenyl]-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[4-(2,6-diphenylphenyl)phenyl]-1-N,6-N-bis(3-phenylphenyl)pyrene-1,6-diamine |
| SMILES | c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4)c4ccc5ccc6c(N(c7ccc(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)cc7)c7cccc(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)c7)ccc7ccc4c5c76)cc3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4c(-c5ccccc5)cccc4-c4ccccc4)cc3)c3ccc4ccc5c(N(c6ccc(-c7c(-c8ccccc8)cccc7-c7ccccc7)cc6)c6cc(-c7ccccc7)cc(-c7ccccc7)c6)ccc6ccc3c4c65)c2)cc1.c1ccc(-c2ccc(N(c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)c3ccc4ccc5c(N(c6ccc(-c7ccccc7)cc6)c6cccc(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)c6)ccc6ccc3c4c65)cc2)cc1.c1ccc(-c2cccc(N(c3ccc(-c4c(-c5ccccc5)cccc4-c4ccccc4)cc3)c3ccc4ccc5c(N(c6ccc(-c7c(-c8ccccc8)cccc7-c7ccccc7)cc6)c6cccc(-c7ccccc7)c6)ccc6ccc3c4c65)c2)cc1 |
| InChI | InChI=1S/C112H76N2.C100H68N2.2C88H60N2/c1-9-27-77(28-10-1)91-63-92(78-29-11-2-12-30-78)68-99(67-91)85-47-55-103(56-48-85)113(105-45-25-43-89(75-105)101-71-95(81-35-17-5-18-36-81)65-96(72-101)82-37-19-6-20-38-82)109-61-53-87-52-60-108-110(62-54-88-51-59-107(109)111(87)112(88)108)114(104-57-49-86(50-58-104)100-69-93(79-31-13-3-14-32-79)64-94(70-100)80-33-15-4-16-34-80)106-46-26-44-90(76-106)102-73-97(83-39-21-7-22-40-83)66-98(74-102)84-41-23-8-24-42-84;1-9-27-69(28-10-1)81-63-82(70-29-11-2-12-30-70)66-87(65-81)101(85-55-47-77(48-56-85)97-89(73-35-17-5-18-36-73)43-25-44-90(97)74-37-19-6-20-38-74)95-61-53-79-52-60-94-96(62-54-80-51-59-93(95)99(79)100(80)94)102(88-67-83(71-31-13-3-14-32-71)64-84(68-88)72-33-15-4-16-34-72)86-57-49-78(50-58-86)98-91(75-39-21-7-22-40-75)45-26-46-92(98)76-41-23-8-24-42-76;1-7-23-61(24-8-1)71-35-19-37-75(59-71)89(73-51-43-67(44-52-73)85-77(63-27-11-3-12-28-63)39-21-40-78(85)64-29-13-4-14-30-64)83-57-49-69-48-56-82-84(58-50-70-47-55-81(83)87(69)88(70)82)90(76-38-20-36-72(60-76)62-25-9-2-10-26-62)74-53-45-68(46-54-74)86-79(65-31-15-5-16-32-65)41-22-42-80(86)66-33-17-6-18-34-66;1-7-21-61(22-8-1)67-37-45-79(46-38-67)89(81-35-19-33-71(59-81)77-55-73(63-25-11-3-12-26-63)53-74(56-77)64-27-13-4-14-28-64)85-51-43-69-42-50-84-86(52-44-70-41-49-83(85)87(69)88(70)84)90(80-47-39-68(40-48-80)62-23-9-2-10-24-62)82-36-20-34-72(60-82)78-57-75(65-29-15-5-16-30-65)54-76(58-78)66-31-17-6-18-32-66/h1-76H;1-68H;2*1-60H |
| InChIKey | DITJJIQQIOGONY-UHFFFAOYSA-N |
| XLogP | 109.44 |
| TPSA | 25.92 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 62 |
| Heavy Atoms | 396 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5038.44 |
| LogP ≤ 5 | 109.44 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |