C177H115N13O2S2 — CID 158224179
N-dibenzofuran-2-yl-N-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine;N-dibenzofuran-4-yl-N-naphthalen-1-yl-6-(9-pyridin-3-ylcarbazol-3-yl)pyridin-3-amine;N-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyridin-3-amine;N-phenyl-N-[4-(9-pyridin-4-ylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine (PubChem CID 158224179) has the molecular formula C177H115N13O2S2 and a molecular weight of 2520.09 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-N-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine;N-dibenzofuran-4-yl-N-naphthalen-1-yl-6-(9-pyridin-3-ylcarbazol-3-yl)pyridin-3-amine;N-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyridin-3-amine;N-phenyl-N-[4-(9-pyridin-4-ylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine.
| Compound Name | N-dibenzofuran-2-yl-N-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine;N-dibenzofuran-4-yl-N-naphthalen-1-yl-6-(9-pyridin-3-ylcarbazol-3-yl)pyridin-3-amine;N-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyridin-3-amine;N-phenyl-N-[4-(9-pyridin-4-ylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine |
|---|---|
| PubChem CID | 158224179 |
| Molecular Formula | C177H115N13O2S2 |
| Molecular Weight | 2520.09 g/mol |
| Exact Mass | 2517.87 |
| IUPAC Name | N-dibenzofuran-2-yl-N-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine;N-dibenzofuran-4-yl-N-naphthalen-1-yl-6-(9-pyridin-3-ylcarbazol-3-yl)pyridin-3-amine;N-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyridin-3-amine;N-phenyl-N-[4-(9-pyridin-4-ylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine |
| SMILES | c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)nc3)c3ccc4sc5ccccc5c4c3)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc6oc7ccccc7c6c5)c5cccc6ccccc56)cn4)ccc32)cc1.c1ccc(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccncc3)cc2)c2ccc3sc4ccccc4c3c2)cc1.c1cncc(-n2c3ccccc3c3cc(-c4ccc(N(c5cccc6ccccc56)c5cccc6c5oc5ccccc56)cn4)ccc32)c1 |
| InChI | InChI=1S/C47H31N3S.C45H29N3O.C44H28N4O.C41H27N3S/c1-3-11-32(12-4-1)33-19-22-36(23-20-33)49(37-25-28-47-42(30-37)40-16-8-10-18-46(40)51-47)38-24-26-43(48-31-38)34-21-27-45-41(29-34)39-15-7-9-17-44(39)50(45)35-13-5-2-6-14-35;1-2-13-32(14-3-1)48-42-18-8-6-16-36(42)38-27-31(21-25-43(38)48)40-24-22-34(29-46-40)47(41-19-10-12-30-11-4-5-15-35(30)41)33-23-26-45-39(28-33)37-17-7-9-20-44(37)49-45;1-2-13-33-29(10-1)11-7-18-39(33)48(42-19-8-16-36-35-15-4-6-20-43(35)49-44(36)42)32-22-23-38(46-28-32)30-21-24-41-37(26-30)34-14-3-5-17-40(34)47(41)31-12-9-25-45-27-31;1-2-8-30(9-3-1)43(33-19-21-41-37(27-33)35-11-5-7-13-40(35)45-41)31-17-14-28(15-18-31)29-16-20-39-36(26-29)34-10-4-6-12-38(34)44(39)32-22-24-42-25-23-32/h1-31H;1-29H;1-28H;1-27H |
| InChIKey | GDPGNINYAIUVBK-UHFFFAOYSA-N |
| XLogP | 49.17 |
| TPSA | 123.41 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 194 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2520.09 |
| LogP ≤ 5 | 49.17 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 17 |