C249H207N13 — CID 158135697
1-N,4-N-bis[4-(N-phenylanilino)phenyl]-1-N,4-N-di(spiro[cyclohexane-1,9'-fluorene]-2'-yl)naphthalene-1,4-diamine;1-N,1-N-diphenyl-4-N-[4-[6-[4-[4-(N-phenylanilino)-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylanilino]phenyl]-3-pyridinyl]phenyl]-4-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine;1-N,1-N-diphenyl-4-N-[4-[4-(N-phenylanilino)-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylanilino]phenyl]-4-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine (PubChem CID 158135697) has the molecular formula C249H207N13 and a molecular weight of 3381.49 g/mol. Its IUPAC name is 1-N,4-N-bis[4-(N-phenylanilino)phenyl]-1-N,4-N-di(spiro[cyclohexane-1,9'-fluorene]-2'-yl)naphthalene-1,4-diamine;1-N,1-N-diphenyl-4-N-[4-[6-[4-[4-(N-phenylanilino)-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylanilino]phenyl]-3-pyridinyl]phenyl]-4-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine;1-N,1-N-diphenyl-4-N-[4-[4-(N-phenylanilino)-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylanilino]phenyl]-4-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine.
| Compound Name | 1-N,4-N-bis[4-(N-phenylanilino)phenyl]-1-N,4-N-di(spiro[cyclohexane-1,9'-fluorene]-2'-yl)naphthalene-1,4-diamine;1-N,1-N-diphenyl-4-N-[4-[6-[4-[4-(N-phenylanilino)-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylanilino]phenyl]-3-pyridinyl]phenyl]-4-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine;1-N,1-N-diphenyl-4-N-[4-[4-(N-phenylanilino)-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylanilino]phenyl]-4-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine |
|---|---|
| PubChem CID | 158135697 |
| Molecular Formula | C249H207N13 |
| Molecular Weight | 3381.49 g/mol |
| Exact Mass | 3378.66 |
| IUPAC Name | 1-N,4-N-bis[4-(N-phenylanilino)phenyl]-1-N,4-N-di(spiro[cyclohexane-1,9'-fluorene]-2'-yl)naphthalene-1,4-diamine;1-N,1-N-diphenyl-4-N-[4-[6-[4-[4-(N-phenylanilino)-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylanilino]phenyl]-3-pyridinyl]phenyl]-4-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine;1-N,1-N-diphenyl-4-N-[4-[4-(N-phenylanilino)-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylanilino]phenyl]-4-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine |
| SMILES | c1ccc(N(c2ccccc2)c2ccc(N(c3ccc(-c4ccc(-c5ccc(N(c6ccc(N(c7ccccc7)c7ccccc7)cc6)c6ccc7c(c6)C6(CCCCC6)c6ccccc6-7)cc5)nc4)cc3)c3ccc4c(c3)C3(CCCCC3)c3ccccc3-4)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(N(c3ccc(N(c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4ccc5c(c4)C4(CCCCC4)c4ccccc4-5)cc3)c3ccc4c(c3)C3(CCCCC3)c3ccccc3-4)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(N(c3ccc4c(c3)C3(CCCCC3)c3ccccc3-4)c3ccc(N(c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4ccc5c(c4)C4(CCCCC4)c4ccccc4-5)c4ccccc34)cc2)cc1 |
| InChI | InChI=1S/C89H73N5.C82H68N4.C78H66N4/c1-7-23-67(24-8-1)91(68-25-9-2-10-26-68)73-44-48-75(49-45-73)93(77-52-54-81-79-31-15-17-33-83(79)88(85(81)61-77)57-19-5-20-58-88)71-40-35-64(36-41-71)66-39-56-87(90-63-66)65-37-42-72(43-38-65)94(76-50-46-74(47-51-76)92(69-27-11-3-12-28-69)70-29-13-4-14-30-70)78-53-55-82-80-32-16-18-34-84(80)89(86(82)62-78)59-21-6-22-60-89;1-7-25-59(26-8-1)83(60-27-9-2-10-28-60)63-39-43-65(44-40-63)85(67-47-49-71-69-33-17-19-37-75(69)81(77(71)57-67)53-21-5-22-54-81)79-51-52-80(74-36-16-15-35-73(74)79)86(66-45-41-64(42-46-66)84(61-29-11-3-12-30-61)62-31-13-4-14-32-62)68-48-50-72-70-34-18-20-38-76(70)82(78(72)58-68)55-23-6-24-56-82;1-7-23-57(24-8-1)79(58-25-9-2-10-26-58)61-35-39-63(40-36-61)81(67-47-49-71-69-31-15-17-33-73(69)77(75(71)55-67)51-19-5-20-52-77)65-43-45-66(46-44-65)82(64-41-37-62(38-42-64)80(59-27-11-3-12-28-59)60-29-13-4-14-30-60)68-48-50-72-70-32-16-18-34-74(70)78(76(72)56-68)53-21-6-22-54-78/h1-4,7-18,23-56,61-63H,5-6,19-22,57-60H2;1-4,7-20,25-52,57-58H,5-6,21-24,53-56H2;1-4,7-18,23-50,55-56H,5-6,19-22,51-54H2 |
| InChIKey | FTHYSOKMLUXROP-UHFFFAOYSA-N |
| XLogP | 69.96 |
| TPSA | 51.77 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 262 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3381.49 |
| LogP ≤ 5 | 69.96 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 13 |