C268H194 — CID 160651467
6,6,12,12-tetramethyl-2-(6-naphthalen-2-yl-3,8-diphenylpyren-1-yl)indeno[1,2-b]fluorene;5,5,10,10-tetramethyl-2-[6-(3-naphthalen-2-ylphenyl)pyren-1-yl]indeno[2,1-a]indene;5,5,10,10-tetramethyl-2-[6-(4-naphthalen-1-ylphenyl)pyren-1-yl]indeno[2,1-a]indene;6,6,12,12-tetramethyl-2-[6-(4-naphthalen-2-ylphenyl)pyren-1-yl]indeno[1,2-b]fluorene;5,5,10,10-tetramethyl-2-(6-naphthalen-2-ylpyren-1-yl)indeno[2,1-a]indene (PubChem CID 160651467) has the molecular formula C268H194 and a molecular weight of 3414.50 g/mol. Its IUPAC name is 6,6,12,12-tetramethyl-2-(6-naphthalen-2-yl-3,8-diphenylpyren-1-yl)indeno[1,2-b]fluorene;5,5,10,10-tetramethyl-2-[6-(3-naphthalen-2-ylphenyl)pyren-1-yl]indeno[2,1-a]indene;5,5,10,10-tetramethyl-2-[6-(4-naphthalen-1-ylphenyl)pyren-1-yl]indeno[2,1-a]indene;6,6,12,12-tetramethyl-2-[6-(4-naphthalen-2-ylphenyl)pyren-1-yl]indeno[1,2-b]fluorene;5,5,10,10-tetramethyl-2-(6-naphthalen-2-ylpyren-1-yl)indeno[2,1-a]indene.
| Compound Name | 6,6,12,12-tetramethyl-2-(6-naphthalen-2-yl-3,8-diphenylpyren-1-yl)indeno[1,2-b]fluorene;5,5,10,10-tetramethyl-2-[6-(3-naphthalen-2-ylphenyl)pyren-1-yl]indeno[2,1-a]indene;5,5,10,10-tetramethyl-2-[6-(4-naphthalen-1-ylphenyl)pyren-1-yl]indeno[2,1-a]indene;6,6,12,12-tetramethyl-2-[6-(4-naphthalen-2-ylphenyl)pyren-1-yl]indeno[1,2-b]fluorene;5,5,10,10-tetramethyl-2-(6-naphthalen-2-ylpyren-1-yl)indeno[2,1-a]indene |
|---|---|
| PubChem CID | 160651467 |
| Molecular Formula | C268H194 |
| Molecular Weight | 3414.50 g/mol |
| Exact Mass | 3411.52 |
| IUPAC Name | 6,6,12,12-tetramethyl-2-(6-naphthalen-2-yl-3,8-diphenylpyren-1-yl)indeno[1,2-b]fluorene;5,5,10,10-tetramethyl-2-[6-(3-naphthalen-2-ylphenyl)pyren-1-yl]indeno[2,1-a]indene;5,5,10,10-tetramethyl-2-[6-(4-naphthalen-1-ylphenyl)pyren-1-yl]indeno[2,1-a]indene;6,6,12,12-tetramethyl-2-[6-(4-naphthalen-2-ylphenyl)pyren-1-yl]indeno[1,2-b]fluorene;5,5,10,10-tetramethyl-2-(6-naphthalen-2-ylpyren-1-yl)indeno[2,1-a]indene |
| SMILES | CC1(C)C2=C(c3ccccc31)C(C)(C)c1cc(-c3ccc4ccc5c(-c6ccc(-c7cccc8ccccc78)cc6)ccc6ccc3c4c65)ccc12.CC1(C)C2=C(c3ccccc31)C(C)(C)c1cc(-c3ccc4ccc5c(-c6ccc7ccccc7c6)ccc6ccc3c4c65)ccc12.CC1(C)C2=C(c3ccccc31)C(C)(C)c1cc(-c3ccc4ccc5c(-c6cccc(-c7ccc8ccccc8c7)c6)ccc6ccc3c4c65)ccc12.CC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(-c2cc(-c4ccccc4)c4ccc5c(-c6ccc7ccccc7c6)cc(-c6ccccc6)c6ccc2c4c65)cc1C3(C)C.CC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(-c2ccc4ccc5c(-c6ccc(-c7ccc8ccccc8c7)cc6)ccc6ccc2c4c65)cc1C3(C)C |
| InChI | InChI=1S/C62H44.C56H40.2C52H38.C46H34/c1-61(2)55-22-14-13-21-43(55)53-35-58-54(36-57(53)61)44-26-25-42(32-56(44)62(58,3)4)52-34-50(39-18-9-6-10-19-39)46-27-29-47-51(41-24-23-37-15-11-12-20-40(37)31-41)33-49(38-16-7-5-8-17-38)45-28-30-48(52)60(46)59(45)47;1-55(2)49-12-8-7-11-43(49)47-31-52-48(32-51(47)55)44-26-23-40(30-50(44)56(52,3)4)42-25-20-37-21-27-45-41(24-19-36-22-28-46(42)54(37)53(36)45)35-16-13-34(14-17-35)39-18-15-33-9-5-6-10-38(33)29-39;1-51(2)45-15-8-7-13-43(45)49-50(51)44-29-24-36(30-46(44)52(49,3)4)40-26-21-35-22-27-41-39(25-20-34-23-28-42(40)48(35)47(34)41)33-18-16-32(17-19-33)38-14-9-11-31-10-5-6-12-37(31)38;1-51(2)45-15-8-7-14-43(45)49-50(51)44-27-22-38(30-46(44)52(49,3)4)40-24-19-33-20-25-41-39(23-18-32-21-26-42(40)48(33)47(32)41)37-13-9-12-35(29-37)36-17-16-31-10-5-6-11-34(31)28-36;1-45(2)39-12-8-7-11-37(39)43-44(45)38-24-19-32(26-40(38)46(43,3)4)34-21-16-29-17-22-35-33(20-15-28-18-23-36(34)42(29)41(28)35)31-14-13-27-9-5-6-10-30(27)25-31/h5-36H,1-4H3;5-32H,1-4H3;2*5-30H,1-4H3;5-26H,1-4H3 |
| InChIKey | RKMBFXQDXLIWII-UHFFFAOYSA-N |
| XLogP | 73.40 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 15 |
| Heavy Atoms | 268 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3414.50 |
| LogP ≤ 5 | 73.40 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'} |
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