C383H270 — CID 161324797
2-tert-butyl-9-naphthalen-1-yl-10-phenanthren-1-ylanthracene;2-tert-butyl-9-naphthalen-2-yl-10-phenanthren-1-ylanthracene;2-tert-butyl-10-naphthalen-1-yl-9-phenanthren-1-ylanthracene;2-tert-butyl-10-naphthalen-2-yl-9-phenanthren-1-ylanthracene;7,7-dimethyl-5-(10-phenanthren-2-ylanthracen-9-yl)benzo[c]fluorene;9-naphthalen-1-yl-2,6-dinaphthalen-2-yl-10-phenanthren-2-ylanthracene;6,6,12,12-tetramethyl-2-(10-phenanthren-2-ylanthracen-9-yl)indeno[1,2-b]fluorene;2,6,9-trinaphthalen-2-yl-10-phenanthren-2-ylanthracene (PubChem CID 161324797) has the molecular formula C383H270 and a molecular weight of 4872.37 g/mol. Its IUPAC name is 2-tert-butyl-9-naphthalen-1-yl-10-phenanthren-1-ylanthracene;2-tert-butyl-9-naphthalen-2-yl-10-phenanthren-1-ylanthracene;2-tert-butyl-10-naphthalen-1-yl-9-phenanthren-1-ylanthracene;2-tert-butyl-10-naphthalen-2-yl-9-phenanthren-1-ylanthracene;7,7-dimethyl-5-(10-phenanthren-2-ylanthracen-9-yl)benzo[c]fluorene;9-naphthalen-1-yl-2,6-dinaphthalen-2-yl-10-phenanthren-2-ylanthracene;6,6,12,12-tetramethyl-2-(10-phenanthren-2-ylanthracen-9-yl)indeno[1,2-b]fluorene;2,6,9-trinaphthalen-2-yl-10-phenanthren-2-ylanthracene.
| Compound Name | 2-tert-butyl-9-naphthalen-1-yl-10-phenanthren-1-ylanthracene;2-tert-butyl-9-naphthalen-2-yl-10-phenanthren-1-ylanthracene;2-tert-butyl-10-naphthalen-1-yl-9-phenanthren-1-ylanthracene;2-tert-butyl-10-naphthalen-2-yl-9-phenanthren-1-ylanthracene;7,7-dimethyl-5-(10-phenanthren-2-ylanthracen-9-yl)benzo[c]fluorene;9-naphthalen-1-yl-2,6-dinaphthalen-2-yl-10-phenanthren-2-ylanthracene;6,6,12,12-tetramethyl-2-(10-phenanthren-2-ylanthracen-9-yl)indeno[1,2-b]fluorene;2,6,9-trinaphthalen-2-yl-10-phenanthren-2-ylanthracene |
|---|---|
| PubChem CID | 161324797 |
| Molecular Formula | C383H270 |
| Molecular Weight | 4872.37 g/mol |
| Exact Mass | 4868.11 |
| IUPAC Name | 2-tert-butyl-9-naphthalen-1-yl-10-phenanthren-1-ylanthracene;2-tert-butyl-9-naphthalen-2-yl-10-phenanthren-1-ylanthracene;2-tert-butyl-10-naphthalen-1-yl-9-phenanthren-1-ylanthracene;2-tert-butyl-10-naphthalen-2-yl-9-phenanthren-1-ylanthracene;7,7-dimethyl-5-(10-phenanthren-2-ylanthracen-9-yl)benzo[c]fluorene;9-naphthalen-1-yl-2,6-dinaphthalen-2-yl-10-phenanthren-2-ylanthracene;6,6,12,12-tetramethyl-2-(10-phenanthren-2-ylanthracen-9-yl)indeno[1,2-b]fluorene;2,6,9-trinaphthalen-2-yl-10-phenanthren-2-ylanthracene |
| SMILES | CC(C)(C)c1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3cccc4c3ccc3ccccc34)c2c1.CC(C)(C)c1ccc2c(-c3cccc4c3ccc3ccccc34)c3ccccc3c(-c3ccc4ccccc4c3)c2c1.CC(C)(C)c1ccc2c(-c3cccc4c3ccc3ccccc34)c3ccccc3c(-c3cccc4ccccc34)c2c1.CC(C)(C)c1ccc2c(-c3cccc4ccccc34)c3ccccc3c(-c3cccc4c3ccc3ccccc34)c2c1.CC1(C)c2ccccc2-c2c1cc(-c1c3ccccc3c(-c3ccc4c(ccc5ccccc54)c3)c3ccccc13)c1ccccc21.CC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(-c2c4ccccc4c(-c4ccc5c(ccc6ccccc65)c4)c4ccccc24)cc1C3(C)C.c1ccc2cc(-c3ccc4c(-c5ccc6c(ccc7ccccc76)c5)c5cc(-c6ccc7ccccc7c6)ccc5c(-c5ccc6ccccc6c5)c4c3)ccc2c1.c1ccc2cc(-c3ccc4c(-c5cccc6ccccc56)c5cc(-c6ccc7ccccc7c6)ccc5c(-c5ccc6c(ccc7ccccc76)c5)c4c3)ccc2c1 |
| InChI | InChI=1S/2C58H36.C52H38.C47H32.4C42H32/c1-4-13-41-31-44(21-17-37(41)9-1)46-26-30-54-55(35-46)57(49-24-19-39-11-3-6-15-43(39)33-49)53-29-25-47(45-22-18-38-10-2-5-14-42(38)32-45)36-56(53)58(54)50-27-28-52-48(34-50)23-20-40-12-7-8-16-51(40)52;1-3-14-41-32-43(23-20-37(41)10-1)45-27-31-54-55(35-45)57(48-28-29-51-47(34-48)25-22-40-13-6-7-17-49(40)51)53-30-26-46(44-24-21-38-11-2-4-15-42(38)33-44)36-56(53)58(54)52-19-9-16-39-12-5-8-18-50(39)52;1-51(2)45-20-12-11-15-37(45)43-29-48-44(30-47(43)51)38-26-24-34(28-46(38)52(48,3)4)50-41-18-9-7-16-39(41)49(40-17-8-10-19-42(40)50)33-23-25-36-32(27-33)22-21-31-13-5-6-14-35(31)36;1-47(2)42-22-12-11-21-40(42)46-35-16-6-5-15-34(35)41(28-43(46)47)45-38-19-9-7-17-36(38)44(37-18-8-10-20-39(37)45)31-25-26-33-30(27-31)24-23-29-13-3-4-14-32(29)33;1-42(2,3)29-23-25-38-39(26-29)41(34-20-10-14-27-12-4-7-16-31(27)34)37-18-9-8-17-36(37)40(38)35-21-11-19-32-30-15-6-5-13-28(30)22-24-33(32)35;1-42(2,3)29-23-25-38-39(26-29)41(35-21-11-19-32-30-15-6-5-13-28(30)22-24-33(32)35)37-18-9-8-17-36(37)40(38)34-20-10-14-27-12-4-7-16-31(27)34;1-42(2,3)31-22-24-38-39(26-31)40(30-20-19-27-11-4-5-13-29(27)25-30)36-15-8-9-16-37(36)41(38)35-18-10-17-33-32-14-7-6-12-28(32)21-23-34(33)35;1-42(2,3)31-22-24-38-39(26-31)41(35-18-10-17-33-32-14-7-6-12-28(32)21-23-34(33)35)37-16-9-8-15-36(37)40(38)30-20-19-27-11-4-5-13-29(27)25-30/h2*1-36H;5-30H,1-4H3;3-28H,1-2H3;4*4-26H,1-3H3 |
| InChIKey | VKPYDJHFADFURM-UHFFFAOYSA-N |
| XLogP | 108.53 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 20 |
| Heavy Atoms | 383 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4872.37 |
| LogP ≤ 5 | 108.53 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |