C404H284N12 — CID 159099689
2-N,7-N-bis(4-naphthalen-1-ylphenyl)-3,5-diphenyl-2-N,7-N-bis(2-phenylphenyl)naphthalene-2,7-diamine;2-N,7-N-bis(4-naphthalen-1-ylphenyl)-3,5-diphenyl-2-N,7-N-bis(3-phenylphenyl)naphthalene-2,7-diamine;2-N,7-N-dinaphthalen-1-yl-3,5-diphenyl-2-N,7-N-bis(2-phenylphenyl)naphthalene-2,7-diamine;2-N,7-N-dinaphthalen-1-yl-3,5-diphenyl-2-N,7-N-bis(3-phenylphenyl)naphthalene-2,7-diamine;2-N,7-N,3,5-tetraphenyl-2-N,7-N-bis(2-phenylphenyl)naphthalene-2,7-diamine;2-N,7-N,3,5-tetraphenyl-2-N,7-N-bis(3-phenylphenyl)naphthalene-2,7-diamine (PubChem CID 159099689) has the molecular formula C404H284N12 and a molecular weight of 5306.80 g/mol. Its IUPAC name is 2-N,7-N-bis(4-naphthalen-1-ylphenyl)-3,5-diphenyl-2-N,7-N-bis(2-phenylphenyl)naphthalene-2,7-diamine;2-N,7-N-bis(4-naphthalen-1-ylphenyl)-3,5-diphenyl-2-N,7-N-bis(3-phenylphenyl)naphthalene-2,7-diamine;2-N,7-N-dinaphthalen-1-yl-3,5-diphenyl-2-N,7-N-bis(2-phenylphenyl)naphthalene-2,7-diamine;2-N,7-N-dinaphthalen-1-yl-3,5-diphenyl-2-N,7-N-bis(3-phenylphenyl)naphthalene-2,7-diamine;2-N,7-N,3,5-tetraphenyl-2-N,7-N-bis(2-phenylphenyl)naphthalene-2,7-diamine;2-N,7-N,3,5-tetraphenyl-2-N,7-N-bis(3-phenylphenyl)naphthalene-2,7-diamine.
| Compound Name | 2-N,7-N-bis(4-naphthalen-1-ylphenyl)-3,5-diphenyl-2-N,7-N-bis(2-phenylphenyl)naphthalene-2,7-diamine;2-N,7-N-bis(4-naphthalen-1-ylphenyl)-3,5-diphenyl-2-N,7-N-bis(3-phenylphenyl)naphthalene-2,7-diamine;2-N,7-N-dinaphthalen-1-yl-3,5-diphenyl-2-N,7-N-bis(2-phenylphenyl)naphthalene-2,7-diamine;2-N,7-N-dinaphthalen-1-yl-3,5-diphenyl-2-N,7-N-bis(3-phenylphenyl)naphthalene-2,7-diamine;2-N,7-N,3,5-tetraphenyl-2-N,7-N-bis(2-phenylphenyl)naphthalene-2,7-diamine;2-N,7-N,3,5-tetraphenyl-2-N,7-N-bis(3-phenylphenyl)naphthalene-2,7-diamine |
|---|---|
| PubChem CID | 159099689 |
| Molecular Formula | C404H284N12 |
| Molecular Weight | 5306.80 g/mol |
| Exact Mass | 5302.26 |
| IUPAC Name | 2-N,7-N-bis(4-naphthalen-1-ylphenyl)-3,5-diphenyl-2-N,7-N-bis(2-phenylphenyl)naphthalene-2,7-diamine;2-N,7-N-bis(4-naphthalen-1-ylphenyl)-3,5-diphenyl-2-N,7-N-bis(3-phenylphenyl)naphthalene-2,7-diamine;2-N,7-N-dinaphthalen-1-yl-3,5-diphenyl-2-N,7-N-bis(2-phenylphenyl)naphthalene-2,7-diamine;2-N,7-N-dinaphthalen-1-yl-3,5-diphenyl-2-N,7-N-bis(3-phenylphenyl)naphthalene-2,7-diamine;2-N,7-N,3,5-tetraphenyl-2-N,7-N-bis(2-phenylphenyl)naphthalene-2,7-diamine;2-N,7-N,3,5-tetraphenyl-2-N,7-N-bis(3-phenylphenyl)naphthalene-2,7-diamine |
| SMILES | c1ccc(-c2cccc(N(c3cc(-c4ccccc4)c4cc(-c5ccccc5)c(N(c5cccc(-c6ccccc6)c5)c5cccc6ccccc56)cc4c3)c3cccc4ccccc34)c2)cc1.c1ccc(-c2cccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cc(-c4ccccc4)c4cc(-c5ccccc5)c(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc(-c6ccccc6)c5)cc4c3)c2)cc1.c1ccc(-c2cccc(N(c3ccccc3)c3cc(-c4ccccc4)c4cc(-c5ccccc5)c(N(c5ccccc5)c5cccc(-c6ccccc6)c5)cc4c3)c2)cc1.c1ccc(-c2ccccc2N(c2cc(-c3ccccc3)c3cc(-c4ccccc4)c(N(c4ccccc4-c4ccccc4)c4cccc5ccccc45)cc3c2)c2cccc3ccccc23)cc1.c1ccc(-c2ccccc2N(c2ccc(-c3cccc4ccccc34)cc2)c2cc(-c3ccccc3)c3cc(-c4ccccc4)c(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccccc4-c4ccccc4)cc3c2)cc1.c1ccc(-c2ccccc2N(c2ccccc2)c2cc(-c3ccccc3)c3cc(-c4ccccc4)c(N(c4ccccc4)c4ccccc4-c4ccccc4)cc3c2)cc1 |
| InChI | InChI=1S/2C78H54N2.2C66H46N2.2C58H42N2/c1-5-21-55(22-6-1)63-33-17-35-68(49-63)79(66-45-41-61(42-46-66)73-39-19-31-57-29-13-15-37-71(57)73)70-51-65-52-78(77(60-27-11-4-12-28-60)54-76(65)75(53-70)59-25-9-3-10-26-59)80(69-36-18-34-64(50-69)56-23-7-2-8-24-56)67-47-43-62(44-48-67)74-40-20-32-58-30-14-16-38-72(58)74;1-5-23-57(24-6-1)71-37-17-19-41-76(71)79(64-47-43-61(44-48-64)69-39-21-33-55-31-13-15-35-67(55)69)66-51-63-52-78(75(60-29-11-4-12-30-60)54-74(63)73(53-66)59-27-9-3-10-28-59)80(77-42-20-18-38-72(77)58-25-7-2-8-26-58)65-49-45-62(46-50-65)70-40-22-34-56-32-14-16-36-68(56)70;1-5-21-47(22-6-1)53-33-17-35-56(41-53)67(64-39-19-31-49-29-13-15-37-59(49)64)58-43-55-44-66(63(52-27-11-4-12-28-52)46-62(55)61(45-58)51-25-9-3-10-26-51)68(65-40-20-32-50-30-14-16-38-60(50)65)57-36-18-34-54(42-57)48-23-7-2-8-24-48;1-5-23-47(24-6-1)55-37-17-19-39-62(55)67(63-41-21-33-49-31-13-15-35-56(49)63)54-43-53-44-66(61(52-29-11-4-12-30-52)46-60(53)59(45-54)51-27-9-3-10-28-51)68(65-42-22-34-50-32-14-16-36-58(50)65)64-40-20-18-38-57(64)48-25-7-2-8-26-48;1-7-23-43(24-8-1)51-35-19-21-37-56(51)59(48-31-15-5-16-32-48)50-39-47-40-58(55(46-29-13-4-14-30-46)42-54(47)53(41-50)45-27-11-3-12-28-45)60(49-33-17-6-18-34-49)57-38-22-20-36-52(57)44-25-9-2-10-26-44;1-7-21-43(22-8-1)47-29-19-35-52(37-47)59(50-31-15-5-16-32-50)54-39-49-40-58(57(46-27-13-4-14-28-46)42-56(49)55(41-54)45-25-11-3-12-26-45)60(51-33-17-6-18-34-51)53-36-20-30-48(38-53)44-23-9-2-10-24-44/h2*1-54H;2*1-46H;2*1-42H |
| InChIKey | KDCVKKRGDJOMDS-UHFFFAOYSA-N |
| XLogP | 114.58 |
| TPSA | 38.88 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 64 |
| Heavy Atoms | 416 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5306.80 |
| LogP ≤ 5 | 114.58 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |