C326H216N8 — CID 158834155
methane;9-phenyl-1-(2-triphenylen-2-ylphenyl)carbazole;9-phenyl-2-(4-triphenylen-2-ylphenyl)carbazole;9-phenyl-3-(4-triphenylen-2-ylphenyl)carbazole;9-(3-phenyl-5-triphenylen-2-ylphenyl)carbazole;9-phenyl-4-(2-triphenylen-2-ylphenyl)carbazole;9-phenyl-4-(4-triphenylen-2-ylphenyl)carbazole;9-(3-triphenylen-2-ylphenyl)carbazole;9-(4-triphenylen-2-ylphenyl)carbazole (PubChem CID 158834155) has the molecular formula C326H216N8 and a molecular weight of 4245.37 g/mol. Its IUPAC name is methane;9-phenyl-1-(2-triphenylen-2-ylphenyl)carbazole;9-phenyl-2-(4-triphenylen-2-ylphenyl)carbazole;9-phenyl-3-(4-triphenylen-2-ylphenyl)carbazole;9-(3-phenyl-5-triphenylen-2-ylphenyl)carbazole;9-phenyl-4-(2-triphenylen-2-ylphenyl)carbazole;9-phenyl-4-(4-triphenylen-2-ylphenyl)carbazole;9-(3-triphenylen-2-ylphenyl)carbazole;9-(4-triphenylen-2-ylphenyl)carbazole.
| Compound Name | methane;9-phenyl-1-(2-triphenylen-2-ylphenyl)carbazole;9-phenyl-2-(4-triphenylen-2-ylphenyl)carbazole;9-phenyl-3-(4-triphenylen-2-ylphenyl)carbazole;9-(3-phenyl-5-triphenylen-2-ylphenyl)carbazole;9-phenyl-4-(2-triphenylen-2-ylphenyl)carbazole;9-phenyl-4-(4-triphenylen-2-ylphenyl)carbazole;9-(3-triphenylen-2-ylphenyl)carbazole;9-(4-triphenylen-2-ylphenyl)carbazole |
|---|---|
| PubChem CID | 158834155 |
| Molecular Formula | C326H216N8 |
| Molecular Weight | 4245.37 g/mol |
| Exact Mass | 4241.71 |
| IUPAC Name | methane;9-phenyl-1-(2-triphenylen-2-ylphenyl)carbazole;9-phenyl-2-(4-triphenylen-2-ylphenyl)carbazole;9-phenyl-3-(4-triphenylen-2-ylphenyl)carbazole;9-(3-phenyl-5-triphenylen-2-ylphenyl)carbazole;9-phenyl-4-(2-triphenylen-2-ylphenyl)carbazole;9-phenyl-4-(4-triphenylen-2-ylphenyl)carbazole;9-(3-triphenylen-2-ylphenyl)carbazole;9-(4-triphenylen-2-ylphenyl)carbazole |
| SMILES | C.C.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2cc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc(-n3c4ccccc4c4ccccc43)c2)cc1.c1ccc(-n2c3ccccc3c3c(-c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)cccc32)cc1.c1ccc(-n2c3ccccc3c3c(-c4ccccc4-c4ccc5c6ccccc6c6ccccc6c5c4)cccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)cc32)cc1.c1ccc(-n2c3ccccc3c3cccc(-c4ccccc4-c4ccc5c6ccccc6c6ccccc6c5c4)c32)cc1.c1ccc2c(c1)c1ccccc1c1cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc21 |
| InChI | InChI=1S/6C42H27N.2C36H23N.2CH4/c1-2-12-28(13-3-1)30-24-31(26-32(25-30)43-41-20-10-8-18-38(41)39-19-9-11-21-42(39)43)29-22-23-37-35-16-5-4-14-33(35)34-15-6-7-17-36(34)40(37)27-29;1-2-13-29(14-3-1)43-41-24-11-10-21-37(41)39-23-12-22-38(42(39)43)31-16-5-4-15-30(31)28-25-26-36-34-19-7-6-17-32(34)33-18-8-9-20-35(33)40(36)27-28;1-2-13-29(14-3-1)43-40-23-11-10-21-38(40)42-37(22-12-24-41(42)43)31-16-5-4-15-30(31)28-25-26-36-34-19-7-6-17-32(34)33-18-8-9-20-35(33)39(36)27-28;1-2-11-31(12-3-1)43-40-19-9-8-17-38(40)42-32(18-10-20-41(42)43)29-23-21-28(22-24-29)30-25-26-37-35-15-5-4-13-33(35)34-14-6-7-16-36(34)39(37)27-30;1-2-10-32(11-3-1)43-41-17-9-8-16-38(41)40-27-31(23-25-42(40)43)29-20-18-28(19-21-29)30-22-24-37-35-14-5-4-12-33(35)34-13-6-7-15-36(34)39(37)26-30;1-2-10-32(11-3-1)43-41-17-9-8-16-38(41)39-25-23-31(27-42(39)43)29-20-18-28(19-21-29)30-22-24-37-35-14-5-4-12-33(35)34-13-6-7-15-36(34)40(37)26-30;1-2-14-29-27(12-1)28-13-3-4-15-30(28)34-23-25(20-21-31(29)34)24-10-9-11-26(22-24)37-35-18-7-5-16-32(35)33-17-6-8-19-36(33)37;1-2-11-29-27(9-1)28-10-3-4-12-30(28)34-23-25(19-22-31(29)34)24-17-20-26(21-18-24)37-35-15-7-5-13-32(35)33-14-6-8-16-36(33)37;;/h6*1-27H;2*1-23H;2*1H4 |
| InChIKey | IXKNEUMAAHTMJR-UHFFFAOYSA-N |
| XLogP | 90.56 |
| TPSA | 39.44 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 334 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4245.37 |
| LogP ≤ 5 | 90.56 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |