C156H119N7 — CID 162243824
11,11-dimethyl-5-(9-naphthalen-2-ylcarbazol-4-yl)indeno[1,2-b]carbazole;11,11-dimethyl-5-(9-phenylcarbazol-1-yl)indeno[1,2-b]carbazole;11,11-dimethyl-5-(9-phenylcarbazol-3-yl)indeno[1,2-b]carbazole;11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole;methane (PubChem CID 162243824) has the molecular formula C156H119N7 and a molecular weight of 2091.72 g/mol. Its IUPAC name is 11,11-dimethyl-5-(9-naphthalen-2-ylcarbazol-4-yl)indeno[1,2-b]carbazole;11,11-dimethyl-5-(9-phenylcarbazol-1-yl)indeno[1,2-b]carbazole;11,11-dimethyl-5-(9-phenylcarbazol-3-yl)indeno[1,2-b]carbazole;11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole;methane.
| Compound Name | 11,11-dimethyl-5-(9-naphthalen-2-ylcarbazol-4-yl)indeno[1,2-b]carbazole;11,11-dimethyl-5-(9-phenylcarbazol-1-yl)indeno[1,2-b]carbazole;11,11-dimethyl-5-(9-phenylcarbazol-3-yl)indeno[1,2-b]carbazole;11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole;methane |
|---|---|
| PubChem CID | 162243824 |
| Molecular Formula | C156H119N7 |
| Molecular Weight | 2091.72 g/mol |
| Exact Mass | 2089.95 |
| IUPAC Name | 11,11-dimethyl-5-(9-naphthalen-2-ylcarbazol-4-yl)indeno[1,2-b]carbazole;11,11-dimethyl-5-(9-phenylcarbazol-1-yl)indeno[1,2-b]carbazole;11,11-dimethyl-5-(9-phenylcarbazol-3-yl)indeno[1,2-b]carbazole;11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole;methane |
| SMILES | C.C.CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(-c2ccccc2)cc1.CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc2c(c1)c1ccccc1n2-c1ccccc1.CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cccc2c1c1ccccc1n2-c1ccc2ccccc2c1.CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cccc2c3ccccc3n(-c3ccccc3)c12 |
| InChI | InChI=1S/C43H30N2.2C39H28N2.C33H25N.2CH4/c1-43(2)35-17-8-5-14-30(35)33-26-41-34(25-36(33)43)31-15-6-9-18-37(31)45(41)40-21-11-20-39-42(40)32-16-7-10-19-38(32)44(39)29-23-22-27-12-3-4-13-28(27)24-29;1-39(2)32-19-9-6-15-26(32)30-24-37-31(23-33(30)39)28-17-8-11-21-35(28)41(37)36-22-12-18-29-27-16-7-10-20-34(27)40(38(29)36)25-13-4-3-5-14-25;1-39(2)33-17-9-6-14-27(33)30-24-38-32(23-34(30)39)29-16-8-11-19-36(29)41(38)26-20-21-37-31(22-26)28-15-7-10-18-35(28)40(37)25-12-4-3-5-13-25;1-33(2)29-14-8-6-12-25(29)27-21-32-28(20-30(27)33)26-13-7-9-15-31(26)34(32)24-18-16-23(17-19-24)22-10-4-3-5-11-22;;/h3-26H,1-2H3;2*3-24H,1-2H3;3-21H,1-2H3;2*1H4 |
| InChIKey | ZXBDZAYELSKNSV-UHFFFAOYSA-N |
| XLogP | 41.74 |
| TPSA | 34.51 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Heavy Atoms | 163 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2091.72 |
| LogP ≤ 5 | 41.74 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |