C311H218O5 — CID 158490228
2-tert-butyl-9,10-dinaphthalen-2-ylanthracene;2-tert-butyl-9,10-diphenylanthracene;6-(9,10-dinaphthalen-1-ylanthracen-2-yl)benzene-1,2,3,4,5-pentol;9,10-dinaphthalen-2-yl-2-phenylanthracene;9,10-dinaphthalen-2-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;2-methyl-9,10-dinaphthalen-2-ylanthracene;2-methyl-9,10-diphenylanthracene;2-(4-methylphenyl)-9,10-dinaphthalen-2-ylanthracene (PubChem CID 158490228) has the molecular formula C311H218O5 and a molecular weight of 4035.16 g/mol. Its IUPAC name is 2-tert-butyl-9,10-dinaphthalen-2-ylanthracene;2-tert-butyl-9,10-diphenylanthracene;6-(9,10-dinaphthalen-1-ylanthracen-2-yl)benzene-1,2,3,4,5-pentol;9,10-dinaphthalen-2-yl-2-phenylanthracene;9,10-dinaphthalen-2-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;2-methyl-9,10-dinaphthalen-2-ylanthracene;2-methyl-9,10-diphenylanthracene;2-(4-methylphenyl)-9,10-dinaphthalen-2-ylanthracene.
| Compound Name | 2-tert-butyl-9,10-dinaphthalen-2-ylanthracene;2-tert-butyl-9,10-diphenylanthracene;6-(9,10-dinaphthalen-1-ylanthracen-2-yl)benzene-1,2,3,4,5-pentol;9,10-dinaphthalen-2-yl-2-phenylanthracene;9,10-dinaphthalen-2-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;2-methyl-9,10-dinaphthalen-2-ylanthracene;2-methyl-9,10-diphenylanthracene;2-(4-methylphenyl)-9,10-dinaphthalen-2-ylanthracene |
|---|---|
| PubChem CID | 158490228 |
| Molecular Formula | C311H218O5 |
| Molecular Weight | 4035.16 g/mol |
| Exact Mass | 4031.68 |
| IUPAC Name | 2-tert-butyl-9,10-dinaphthalen-2-ylanthracene;2-tert-butyl-9,10-diphenylanthracene;6-(9,10-dinaphthalen-1-ylanthracen-2-yl)benzene-1,2,3,4,5-pentol;9,10-dinaphthalen-2-yl-2-phenylanthracene;9,10-dinaphthalen-2-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;2-methyl-9,10-dinaphthalen-2-ylanthracene;2-methyl-9,10-diphenylanthracene;2-(4-methylphenyl)-9,10-dinaphthalen-2-ylanthracene |
| SMILES | CC(C)(C)c1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccc4ccccc4c3)c2c1.CC(C)(C)c1ccc2c(-c3ccccc3)c3ccccc3c(-c3ccccc3)c2c1.Cc1ccc(-c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)cc1.Cc1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccc4ccccc4c3)c2c1.Cc1ccc2c(-c3ccccc3)c3ccccc3c(-c3ccccc3)c2c1.Oc1c(O)c(O)c(-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4cccc5ccccc45)c3c2)c(O)c1O.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)c4ccccc34)cc2)cc1.c1ccc(-c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)cc1 |
| InChI | InChI=1S/C60H38.C41H28.C40H26O5.C40H26.C38H30.C35H24.C30H26.C27H20/c1-2-14-39(15-3-1)42-26-30-43(31-27-42)57-49-20-8-10-22-51(49)59(52-23-11-9-21-50(52)57)48-34-35-55-56(38-48)60(47-33-29-41-17-5-7-19-45(41)37-47)54-25-13-12-24-53(54)58(55)46-32-28-40-16-4-6-18-44(40)36-46;1-27-14-16-30(17-15-27)33-22-23-38-39(26-33)41(35-21-19-29-9-3-5-11-32(29)25-35)37-13-7-6-12-36(37)40(38)34-20-18-28-8-2-4-10-31(28)24-34;41-36-33(37(42)39(44)40(45)38(36)43)24-19-20-31-32(21-24)35(28-18-8-12-23-10-2-4-14-26(23)28)30-16-6-5-15-29(30)34(31)27-17-7-11-22-9-1-3-13-25(22)27;1-2-10-27(11-3-1)32-22-23-37-38(26-32)40(34-21-19-29-13-5-7-15-31(29)25-34)36-17-9-8-16-35(36)39(37)33-20-18-28-12-4-6-14-30(28)24-33;1-38(2,3)31-20-21-34-35(24-31)37(30-19-17-26-11-5-7-13-28(26)23-30)33-15-9-8-14-32(33)36(34)29-18-16-25-10-4-6-12-27(25)22-29;1-23-14-19-32-33(20-23)35(29-18-16-25-9-3-5-11-27(25)22-29)31-13-7-6-12-30(31)34(32)28-17-15-24-8-2-4-10-26(24)21-28;1-30(2,3)23-18-19-26-27(20-23)29(22-14-8-5-9-15-22)25-17-11-10-16-24(25)28(26)21-12-6-4-7-13-21;1-19-16-17-24-25(18-19)27(21-12-6-3-7-13-21)23-15-9-8-14-22(23)26(24)20-10-4-2-5-11-20/h1-38H;2-26H,1H3;1-21,41-45H;1-26H;4-24H,1-3H3;2-22H,1H3;4-20H,1-3H3;2-18H,1H3 |
| InChIKey | HIPLHNTUZNNSSN-UHFFFAOYSA-N |
| XLogP | 86.81 |
| TPSA | 101.15 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 316 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4035.16 |
| LogP ≤ 5 | 86.81 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 5 |