C262H192N6 — CID 158018910
7-[(E)-2-[6-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]ethenyl]pyren-1-yl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-phenylfluoren-2-amine;7-[(E)-2-[6-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-2-ylanilino)fluoren-2-yl]ethenyl]pyren-1-yl]ethenyl]-9,9-dimethyl-N-naphthalen-2-yl-N-phenylfluoren-2-amine;7-[(E)-2-[6-[(E)-2-[9,9-dimethyl-7-(4-phenyl-N-(4-phenylphenyl)anilino)fluoren-2-yl]ethenyl]pyren-1-yl]ethenyl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine (PubChem CID 158018910) has the molecular formula C262H192N6 and a molecular weight of 3424.46 g/mol. Its IUPAC name is 7-[(E)-2-[6-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]ethenyl]pyren-1-yl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-phenylfluoren-2-amine;7-[(E)-2-[6-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-2-ylanilino)fluoren-2-yl]ethenyl]pyren-1-yl]ethenyl]-9,9-dimethyl-N-naphthalen-2-yl-N-phenylfluoren-2-amine;7-[(E)-2-[6-[(E)-2-[9,9-dimethyl-7-(4-phenyl-N-(4-phenylphenyl)anilino)fluoren-2-yl]ethenyl]pyren-1-yl]ethenyl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine.
| Compound Name | 7-[(E)-2-[6-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]ethenyl]pyren-1-yl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-phenylfluoren-2-amine;7-[(E)-2-[6-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-2-ylanilino)fluoren-2-yl]ethenyl]pyren-1-yl]ethenyl]-9,9-dimethyl-N-naphthalen-2-yl-N-phenylfluoren-2-amine;7-[(E)-2-[6-[(E)-2-[9,9-dimethyl-7-(4-phenyl-N-(4-phenylphenyl)anilino)fluoren-2-yl]ethenyl]pyren-1-yl]ethenyl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine |
|---|---|
| PubChem CID | 158018910 |
| Molecular Formula | C262H192N6 |
| Molecular Weight | 3424.46 g/mol |
| Exact Mass | 3421.52 |
| IUPAC Name | 7-[(E)-2-[6-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]ethenyl]pyren-1-yl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-phenylfluoren-2-amine;7-[(E)-2-[6-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-2-ylanilino)fluoren-2-yl]ethenyl]pyren-1-yl]ethenyl]-9,9-dimethyl-N-naphthalen-2-yl-N-phenylfluoren-2-amine;7-[(E)-2-[6-[(E)-2-[9,9-dimethyl-7-(4-phenyl-N-(4-phenylphenyl)anilino)fluoren-2-yl]ethenyl]pyren-1-yl]ethenyl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine |
| SMILES | CC1(C)c2cc(/C=C/c3ccc4ccc5c(/C=C/c6ccc7c(c6)C(C)(C)c6cc(N(c8ccc(-c9ccccc9)cc8)c8ccc(-c9ccccc9)cc8)ccc6-7)ccc6ccc3c4c65)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21.CC1(C)c2cc(/C=C/c3ccc4ccc5c(/C=C/c6ccc7c(c6)C(C)(C)c6cc(N(c8ccccc8)c8ccc9ccccc9c8)ccc6-7)ccc6ccc3c4c65)ccc2-c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc21.CC1(C)c2cc(/C=C/c3ccc4ccc5c(/C=C/c6ccc7c(c6)C(C)(C)c6cc(N(c8ccccc8)c8cccc9ccccc89)ccc6-7)ccc6ccc3c4c65)ccc2-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc21 |
| InChI | InChI=1S/C98H72N2.2C82H60N2/c1-97(2)91-61-65(27-55-87(91)89-59-53-83(63-93(89)97)99(79-45-35-71(36-46-79)67-17-9-5-10-18-67)80-47-37-72(38-48-80)68-19-11-6-12-20-68)25-29-75-31-33-77-44-58-86-76(32-34-78-43-57-85(75)95(77)96(78)86)30-26-66-28-56-88-90-60-54-84(64-94(90)98(3,4)92(88)62-66)100(81-49-39-73(40-50-81)69-21-13-7-14-22-69)82-51-41-74(42-52-82)70-23-15-8-16-24-70;1-81(2)73-49-53(31-43-69(73)71-47-41-63(51-75(71)81)83(61-21-7-5-8-22-61)77-27-15-19-55-17-11-13-25-65(55)77)29-33-57-35-37-59-40-46-68-58(36-38-60-39-45-67(57)79(59)80(60)68)34-30-54-32-44-70-72-48-42-64(52-76(72)82(3,4)74(70)50-54)84(62-23-9-6-10-24-62)78-28-16-20-56-18-12-14-26-66(56)78;1-81(2)75-47-53(25-41-71(75)73-45-39-67(51-77(73)81)83(63-19-7-5-8-20-63)65-37-33-55-15-11-13-17-61(55)49-65)23-27-57-29-31-59-36-44-70-58(30-32-60-35-43-69(57)79(59)80(60)70)28-24-54-26-42-72-74-46-40-68(52-78(74)82(3,4)76(72)48-54)84(64-21-9-6-10-22-64)66-38-34-56-16-12-14-18-62(56)50-66/h5-64H,1-4H3;2*5-52H,1-4H3/b29-25+,30-26+;33-29+,34-30+;27-23+,28-24+ |
| InChIKey | FFUZLPGSRMDSFH-ZSFQCGGLSA-N |
| XLogP | 72.71 |
| TPSA | 19.44 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 268 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3424.46 |
| LogP ≤ 5 | 72.71 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'} |
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