C210H147N7O4 — CID 158356298
14-[4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene;2-[[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[6-(N-naphthalen-2-ylanilino)naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;3-N,3-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole-3,6-diamine (PubChem CID 158356298) has the molecular formula C210H147N7O4 and a molecular weight of 2832.53 g/mol. Its IUPAC name is 14-[4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene;2-[[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[6-(N-naphthalen-2-ylanilino)naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;3-N,3-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole-3,6-diamine.
| Compound Name | 14-[4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene;2-[[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[6-(N-naphthalen-2-ylanilino)naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;3-N,3-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole-3,6-diamine |
|---|---|
| PubChem CID | 158356298 |
| Molecular Formula | C210H147N7O4 |
| Molecular Weight | 2832.53 g/mol |
| Exact Mass | 2830.15 |
| IUPAC Name | 14-[4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene;2-[[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[6-(N-naphthalen-2-ylanilino)naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;3-N,3-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole-3,6-diamine |
| SMILES | CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)c3cc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc3n4-c3ccccc3)cc21.O=C1C(=Cc2ccc3cc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)ccc3c2)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2ccc3cc(N(c4ccccc4)c4ccc5ccccc5c4)ccc3c2)C(=O)c2cc3ccccc3cc21.c1ccc2c(c1)-c1ccccc1N(c1ccc(-c3ccc(N4c5ccccc5-c5ccccc5-c5ccccc54)cc3)cc1)c1ccccc1-2 |
| InChI | InChI=1S/C78H63N3.C48H32N2.C44H27NO2.C40H25NO2/c1-75(2)65-26-16-12-22-55(65)59-36-30-51(44-69(59)75)79(52-31-37-60-56-23-13-17-27-66(56)76(3,4)70(60)45-52)49-34-40-73-63(42-49)64-43-50(35-41-74(64)81(73)48-20-10-9-11-21-48)80(53-32-38-61-57-24-14-18-28-67(57)77(5,6)71(61)46-53)54-33-39-62-58-25-15-19-29-68(58)78(7,8)72(62)47-54;1-2-14-38-37(13-1)41-17-5-9-21-45(41)49(46-22-10-6-18-42(38)46)35-29-25-33(26-30-35)34-27-31-36(32-28-34)50-47-23-11-7-19-43(47)39-15-3-4-16-40(39)44-20-8-12-24-48(44)50;46-43-40-26-33-11-5-6-12-34(33)27-41(40)44(47)42(43)22-28-13-14-36-25-39(20-17-35(36)21-28)45(37-18-15-29-7-1-3-9-31(29)23-37)38-19-16-30-8-2-4-10-32(30)24-38;42-39-36-24-29-10-6-7-11-30(29)25-37(36)40(43)38(39)21-26-14-15-32-23-35(19-17-31(32)20-26)41(33-12-2-1-3-13-33)34-18-16-27-8-4-5-9-28(27)22-34/h9-47H,1-8H3;1-32H;1-27H;1-25H |
| InChIKey | GSXOICUIIAWFFE-UHFFFAOYSA-N |
| XLogP | 55.85 |
| TPSA | 92.65 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 11 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 221 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2832.53 |
| LogP ≤ 5 | 55.85 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 11 |
| Structural Alerts | {'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'} |
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