C174H148N16 — CID 159345412
2,7-di(carbazol-9-yl)-9-propan-2-ylcarbazole;3,6-di(carbazol-9-yl)-9-propan-2-ylcarbazole;9-propan-2-ylcarbazole;5-propan-2-ylpyrido[3,2-b]indole;5-propan-2-ylpyrido[4,3-b]indole;9-propan-2-ylpyrido[2,3-b]indole;3-N,3-N,6-N,6-N-tetraphenyl-9-propan-2-ylcarbazole-3,6-diamine (PubChem CID 159345412) has the molecular formula C174H148N16 and a molecular weight of 2463.21 g/mol. Its IUPAC name is 2,7-di(carbazol-9-yl)-9-propan-2-ylcarbazole;3,6-di(carbazol-9-yl)-9-propan-2-ylcarbazole;9-propan-2-ylcarbazole;5-propan-2-ylpyrido[3,2-b]indole;5-propan-2-ylpyrido[4,3-b]indole;9-propan-2-ylpyrido[2,3-b]indole;3-N,3-N,6-N,6-N-tetraphenyl-9-propan-2-ylcarbazole-3,6-diamine.
| Compound Name | 2,7-di(carbazol-9-yl)-9-propan-2-ylcarbazole;3,6-di(carbazol-9-yl)-9-propan-2-ylcarbazole;9-propan-2-ylcarbazole;5-propan-2-ylpyrido[3,2-b]indole;5-propan-2-ylpyrido[4,3-b]indole;9-propan-2-ylpyrido[2,3-b]indole;3-N,3-N,6-N,6-N-tetraphenyl-9-propan-2-ylcarbazole-3,6-diamine |
|---|---|
| PubChem CID | 159345412 |
| Molecular Formula | C174H148N16 |
| Molecular Weight | 2463.21 g/mol |
| Exact Mass | 2461.21 |
| IUPAC Name | 2,7-di(carbazol-9-yl)-9-propan-2-ylcarbazole;3,6-di(carbazol-9-yl)-9-propan-2-ylcarbazole;9-propan-2-ylcarbazole;5-propan-2-ylpyrido[3,2-b]indole;5-propan-2-ylpyrido[4,3-b]indole;9-propan-2-ylpyrido[2,3-b]indole;3-N,3-N,6-N,6-N-tetraphenyl-9-propan-2-ylcarbazole-3,6-diamine |
| SMILES | CC(C)n1c2cc(-n3c4ccccc4c4ccccc43)ccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21.CC(C)n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.CC(C)n1c2ccc(N(c3ccccc3)c3ccccc3)cc2c2cc(N(c3ccccc3)c3ccccc3)ccc21.CC(C)n1c2ccccc2c2ccccc21.CC(C)n1c2ccccc2c2cccnc21.CC(C)n1c2ccccc2c2cnccc21.CC(C)n1c2ccccc2c2ncccc21 |
| InChI | InChI=1S/2C39H29N3.C39H33N3.C15H15N.3C14H14N2/c1-25(2)40-38-21-19-26(41-34-15-7-3-11-28(34)29-12-4-8-16-35(29)41)23-32(38)33-24-27(20-22-39(33)40)42-36-17-9-5-13-30(36)31-14-6-10-18-37(31)42;1-25(2)40-38-23-26(41-34-15-7-3-11-28(34)29-12-4-8-16-35(29)41)19-21-32(38)33-22-20-27(24-39(33)40)42-36-17-9-5-13-30(36)31-14-6-10-18-37(31)42;1-29(2)40-38-25-23-34(41(30-15-7-3-8-16-30)31-17-9-4-10-18-31)27-36(38)37-28-35(24-26-39(37)40)42(32-19-11-5-12-20-32)33-21-13-6-14-22-33;1-11(2)16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16;1-10(2)16-13-8-4-3-6-11(13)12-7-5-9-15-14(12)16;1-10(2)16-12-7-4-3-6-11(12)14-13(16)8-5-9-15-14;1-10(2)16-13-6-4-3-5-11(13)12-9-15-8-7-14(12)16/h2*3-25H,1-2H3;3-29H,1-2H3;3-11H,1-2H3;3*3-10H,1-2H3 |
| InChIKey | LGQWRKSYNXIMHX-UHFFFAOYSA-N |
| XLogP | 48.14 |
| TPSA | 99.38 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 190 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2463.21 |
| LogP ≤ 5 | 48.14 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |