C290H190N10 — CID 173147421
N-[4-[4-(N-coronen-1-ylanilino)phenyl]phenyl]-N-phenylcoronen-1-amine;N-[4-[4-(N-perylen-2-ylanilino)phenyl]phenyl]-N-phenylperylen-2-amine;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine;N-phenyl-N-[4-[4-(N-tetracen-2-ylanilino)phenyl]phenyl]tetracen-2-amine;2-N,2-N,6-N,6-N-tetrakis(4-methylphenyl)naphthalene-2,6-diamine (PubChem CID 173147421) has the molecular formula C290H190N10 and a molecular weight of 3814.78 g/mol. Its IUPAC name is N-[4-[4-(N-coronen-1-ylanilino)phenyl]phenyl]-N-phenylcoronen-1-amine;N-[4-[4-(N-perylen-2-ylanilino)phenyl]phenyl]-N-phenylperylen-2-amine;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine;N-phenyl-N-[4-[4-(N-tetracen-2-ylanilino)phenyl]phenyl]tetracen-2-amine;2-N,2-N,6-N,6-N-tetrakis(4-methylphenyl)naphthalene-2,6-diamine.
| Compound Name | N-[4-[4-(N-coronen-1-ylanilino)phenyl]phenyl]-N-phenylcoronen-1-amine;N-[4-[4-(N-perylen-2-ylanilino)phenyl]phenyl]-N-phenylperylen-2-amine;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine;N-phenyl-N-[4-[4-(N-tetracen-2-ylanilino)phenyl]phenyl]tetracen-2-amine;2-N,2-N,6-N,6-N-tetrakis(4-methylphenyl)naphthalene-2,6-diamine |
|---|---|
| PubChem CID | 173147421 |
| Molecular Formula | C290H190N10 |
| Molecular Weight | 3814.78 g/mol |
| Exact Mass | 3811.52 |
| IUPAC Name | N-[4-[4-(N-coronen-1-ylanilino)phenyl]phenyl]-N-phenylcoronen-1-amine;N-[4-[4-(N-perylen-2-ylanilino)phenyl]phenyl]-N-phenylperylen-2-amine;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine;N-phenyl-N-[4-[4-(N-tetracen-2-ylanilino)phenyl]phenyl]tetracen-2-amine;2-N,2-N,6-N,6-N-tetrakis(4-methylphenyl)naphthalene-2,6-diamine |
| SMILES | Cc1ccc(N(c2ccc(C)cc2)c2ccc3cc(N(c4ccc(C)cc4)c4ccc(C)cc4)ccc3c2)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cc5ccc6ccc7ccc8ccc9ccc4c4c9c8c7c6c54)cc3)cc2)c2cc3ccc4ccc5ccc6ccc7ccc2c2c7c6c5c4c32)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cc5ccc6cccc7ccc(c4)c5c67)cc3)cc2)c2cc3ccc4cccc5ccc(c2)c3c45)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cc5cccc6c7cccc8cccc(c(c4)c56)c87)cc3)cc2)c2cc3cccc4c5cccc6cccc(c(c2)c34)c65)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5cc6cc7ccccc7cc6cc5c4)cc3)cc2)c2ccc3cc4cc5ccccc5cc4cc3c2)cc1 |
| InChI | InChI=1S/C72H40N2.C64H40N2.C60H40N2.C56H36N2.C38H34N2/c1-3-7-53(8-4-1)73(59-39-51-25-23-47-17-13-43-11-15-45-19-21-49-31-37-57(59)71-67(49)63(45)61(43)65(47)69(51)71)55-33-27-41(28-34-55)42-29-35-56(36-30-42)74(54-9-5-2-6-10-54)60-40-52-26-24-48-18-14-44-12-16-46-20-22-50-32-38-58(60)72-68(50)64(46)62(44)66(48)70(52)72;1-3-19-47(20-4-1)65(51-37-45-17-11-25-55-53-23-7-13-43-15-9-27-57(61(43)53)59(39-51)63(45)55)49-33-29-41(30-34-49)42-31-35-50(36-32-42)66(48-21-5-2-6-22-48)52-38-46-18-12-26-56-54-24-8-14-44-16-10-28-58(62(44)54)60(40-52)64(46)56;1-3-15-55(16-4-1)61(59-29-23-47-35-49-31-43-11-7-9-13-45(43)33-51(49)37-53(47)39-59)57-25-19-41(20-26-57)42-21-27-58(28-22-42)62(56-17-5-2-6-18-56)60-30-24-48-36-50-32-44-12-8-10-14-46(44)34-52(50)38-54(48)40-60;1-3-13-47(14-4-1)57(51-33-43-21-17-39-9-7-10-40-18-22-44(34-51)55(43)53(39)40)49-29-25-37(26-30-49)38-27-31-50(32-28-38)58(48-15-5-2-6-16-48)52-35-45-23-19-41-11-8-12-42-20-24-46(36-52)56(45)54(41)42;1-27-5-15-33(16-6-27)39(34-17-7-28(2)8-18-34)37-23-13-32-26-38(24-14-31(32)25-37)40(35-19-9-29(3)10-20-35)36-21-11-30(4)12-22-36/h1-40H;1-40H;1-40H;1-36H;5-26H,1-4H3 |
| InChIKey | LJSHVKOVLBZZCC-UHFFFAOYSA-N |
| XLogP | 83.47 |
| TPSA | 32.40 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 300 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3814.78 |
| LogP ≤ 5 | 83.47 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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