C238H172N6 — CID 162048900
3-(9H-fluoren-3-yl)-9-phenyl-4a,9a-dihydrocarbazole;3-(6-naphthalen-1-yl-9H-fluoren-3-yl)-9-phenyl-4a,9a-dihydrocarbazole;9-phenyl-3-(6-phenyl-9H-fluoren-3-yl)-4a,9a-dihydrocarbazole;9-phenyl-3-[6-(2-phenylphenyl)-9H-fluoren-3-yl]-4a,9a-dihydrocarbazole;9-phenyl-3-[6-(3-phenylphenyl)-9H-fluoren-3-yl]-4a,9a-dihydrocarbazole;9-phenyl-3-[6-(4-phenylphenyl)-9H-fluoren-3-yl]-4a,9a-dihydrocarbazole (PubChem CID 162048900) has the molecular formula C238H172N6 and a molecular weight of 3116.04 g/mol. Its IUPAC name is 3-(9H-fluoren-3-yl)-9-phenyl-4a,9a-dihydrocarbazole;3-(6-naphthalen-1-yl-9H-fluoren-3-yl)-9-phenyl-4a,9a-dihydrocarbazole;9-phenyl-3-(6-phenyl-9H-fluoren-3-yl)-4a,9a-dihydrocarbazole;9-phenyl-3-[6-(2-phenylphenyl)-9H-fluoren-3-yl]-4a,9a-dihydrocarbazole;9-phenyl-3-[6-(3-phenylphenyl)-9H-fluoren-3-yl]-4a,9a-dihydrocarbazole;9-phenyl-3-[6-(4-phenylphenyl)-9H-fluoren-3-yl]-4a,9a-dihydrocarbazole.
| Compound Name | 3-(9H-fluoren-3-yl)-9-phenyl-4a,9a-dihydrocarbazole;3-(6-naphthalen-1-yl-9H-fluoren-3-yl)-9-phenyl-4a,9a-dihydrocarbazole;9-phenyl-3-(6-phenyl-9H-fluoren-3-yl)-4a,9a-dihydrocarbazole;9-phenyl-3-[6-(2-phenylphenyl)-9H-fluoren-3-yl]-4a,9a-dihydrocarbazole;9-phenyl-3-[6-(3-phenylphenyl)-9H-fluoren-3-yl]-4a,9a-dihydrocarbazole;9-phenyl-3-[6-(4-phenylphenyl)-9H-fluoren-3-yl]-4a,9a-dihydrocarbazole |
|---|---|
| PubChem CID | 162048900 |
| Molecular Formula | C238H172N6 |
| Molecular Weight | 3116.04 g/mol |
| Exact Mass | 3113.36 |
| IUPAC Name | 3-(9H-fluoren-3-yl)-9-phenyl-4a,9a-dihydrocarbazole;3-(6-naphthalen-1-yl-9H-fluoren-3-yl)-9-phenyl-4a,9a-dihydrocarbazole;9-phenyl-3-(6-phenyl-9H-fluoren-3-yl)-4a,9a-dihydrocarbazole;9-phenyl-3-[6-(2-phenylphenyl)-9H-fluoren-3-yl]-4a,9a-dihydrocarbazole;9-phenyl-3-[6-(3-phenylphenyl)-9H-fluoren-3-yl]-4a,9a-dihydrocarbazole;9-phenyl-3-[6-(4-phenylphenyl)-9H-fluoren-3-yl]-4a,9a-dihydrocarbazole |
| SMILES | C1=CC2C(C=C1c1ccc3c(c1)-c1cc(-c4ccc(-c5ccccc5)cc4)ccc1C3)c1ccccc1N2c1ccccc1.C1=CC2C(C=C1c1ccc3c(c1)-c1cc(-c4cccc(-c5ccccc5)c4)ccc1C3)c1ccccc1N2c1ccccc1.C1=CC2C(C=C1c1ccc3c(c1)-c1cc(-c4cccc5ccccc45)ccc1C3)c1ccccc1N2c1ccccc1.C1=CC2C(C=C1c1ccc3c(c1)-c1cc(-c4ccccc4)ccc1C3)c1ccccc1N2c1ccccc1.C1=CC2C(C=C1c1ccc3c(c1)-c1cc(-c4ccccc4-c4ccccc4)ccc1C3)c1ccccc1N2c1ccccc1.C1=CC2C(C=C1c1ccc3c(c1)-c1ccccc1C3)c1ccccc1N2c1ccccc1 |
| InChI | InChI=1S/3C43H31N.C41H29N.C37H27N.C31H23N/c1-3-11-29(12-4-1)36-15-7-8-16-37(36)34-22-21-33-25-32-20-19-30(26-39(32)40(33)28-34)31-23-24-43-41(27-31)38-17-9-10-18-42(38)44(43)35-13-5-2-6-14-35;1-3-10-29(11-4-1)30-12-9-13-31(24-30)32-18-20-35-25-36-21-19-33(27-40(36)39(35)26-32)34-22-23-43-41(28-34)38-16-7-8-17-42(38)44(43)37-14-5-2-6-15-37;1-3-9-29(10-4-1)30-15-17-31(18-16-30)32-19-21-35-25-36-22-20-33(27-40(36)39(35)26-32)34-23-24-43-41(28-34)38-13-7-8-14-42(38)44(43)37-11-5-2-6-12-37;1-2-11-33(12-3-1)42-40-16-7-6-14-36(40)39-25-29(21-22-41(39)42)28-17-18-30-23-31-19-20-32(26-38(31)37(30)24-28)35-15-8-10-27-9-4-5-13-34(27)35;1-3-9-25(10-4-1)26-15-17-29-21-30-18-16-27(23-34(30)33(29)22-26)28-19-20-37-35(24-28)32-13-7-8-14-36(32)38(37)31-11-5-2-6-12-31;1-2-9-25(10-3-1)32-30-13-7-6-12-27(30)29-20-22(16-17-31(29)32)21-14-15-24-18-23-8-4-5-11-26(23)28(24)19-21/h3*1-24,26-28,41,43H,25H2;1-22,24-26,39,41H,23H2;1-20,22-24,35,37H,21H2;1-17,19-20,29,31H,18H2 |
| InChIKey | YYHBGRJQFKLMER-UHFFFAOYSA-N |
| XLogP | 59.58 |
| TPSA | 19.44 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 244 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3116.04 |
| LogP ≤ 5 | 59.58 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |