C206H158N4 — CID 138667241
10-N-[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4-methylphenyl]-10-N-[2-[7-[9-[[7-[7-[3-[3-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[10-(N-naphthalen-2-ylanilino)anthracen-9-yl]anilino]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-4-yl]methyl]-9-methylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-4-methylphenyl]-9-N-naphthalen-2-yl-9-N-phenylanthracene-9,10-diamine (PubChem CID 138667241) has the molecular formula C206H158N4 and a molecular weight of 2689.56 g/mol. Its IUPAC name is 10-N-[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4-methylphenyl]-10-N-[2-[7-[9-[[7-[7-[3-[3-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[10-(N-naphthalen-2-ylanilino)anthracen-9-yl]anilino]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-4-yl]methyl]-9-methylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-4-methylphenyl]-9-N-naphthalen-2-yl-9-N-phenylanthracene-9,10-diamine.
| Compound Name | 10-N-[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4-methylphenyl]-10-N-[2-[7-[9-[[7-[7-[3-[3-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[10-(N-naphthalen-2-ylanilino)anthracen-9-yl]anilino]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-4-yl]methyl]-9-methylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-4-methylphenyl]-9-N-naphthalen-2-yl-9-N-phenylanthracene-9,10-diamine |
|---|---|
| PubChem CID | 138667241 |
| Molecular Formula | C206H158N4 |
| Molecular Weight | 2689.56 g/mol |
| Exact Mass | 2687.25 |
| IUPAC Name | 10-N-[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4-methylphenyl]-10-N-[2-[7-[9-[[7-[7-[3-[3-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[10-(N-naphthalen-2-ylanilino)anthracen-9-yl]anilino]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-4-yl]methyl]-9-methylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-4-methylphenyl]-9-N-naphthalen-2-yl-9-N-phenylanthracene-9,10-diamine |
| SMILES | Cc1ccc(N(c2ccc(C)cc2-c2ccc3c(c2)C(C)(C)c2cc(-c4ccc5c(c4)C(C)(Cc4cccc6c4-c4ccc(-c7ccc8c(c7)C(C)(C)c7cc(-c9cccc(N(c%10cccc(-c%11ccc%12c(c%11)C(C)(C)c%11cc(-c%13ccc%14c(c%13)C(C)(C)c%13ccccc%13-%14)ccc%11-%12)c%10)c%10c%11ccccc%11c(N(c%11ccccc%11)c%11ccc%12ccccc%12c%11)c%11ccccc%10%11)c9)ccc7-8)cc4C6(C)C)c4ccccc4-5)ccc2-3)c2c3ccccc3c(N(c3ccccc3)c3ccc4ccccc4c3)c3ccccc23)c(-c2ccc3c(c2)C(C)(C)c2cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)ccc2-3)c1 |
| InChI | InChI=1S/C206H158N4/c1-124-73-103-192(174(105-124)142-87-100-162-160-97-82-137(116-186(160)204(13,14)188(162)121-142)135-80-92-155-152-59-37-40-70-177(152)200(5,6)181(155)114-135)210(198-171-67-34-32-65-169(171)196(170-66-33-35-68-172(170)198)208(146-54-22-19-23-55-146)150-90-76-127-46-25-27-48-129(127)108-150)193-104-74-125(2)106-175(193)143-88-101-163-161-98-84-139(118-187(161)205(15,16)189(163)122-143)141-85-99-164-153-60-38-41-71-178(153)206(17,191(164)120-141)123-144-51-44-72-179-194(144)173-102-86-140(119-190(173)201(179,7)8)138-83-96-159-157-94-78-133(112-183(157)203(11,12)185(159)117-138)131-50-43-57-148(110-131)209(197-167-63-30-28-61-165(167)195(166-62-29-31-64-168(166)197)207(145-52-20-18-21-53-145)149-89-75-126-45-24-26-47-128(126)107-149)147-56-42-49-130(109-147)132-77-93-156-158-95-81-136(115-184(158)202(9,10)182(156)111-132)134-79-91-154-151-58-36-39-69-176(151)199(3,4)180(154)113-134/h18-122H,123H2,1-17H3 |
| InChIKey | QFVMHWBLVHPNAR-UHFFFAOYSA-N |
| XLogP | 56.11 |
| TPSA | 12.96 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 210 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2689.56 |
| LogP ≤ 5 | 56.11 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
| Structural Alerts | {'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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