C230H155N21 — CID 158355693
2-[10-[4-(4,6-diphenyl-2-pyridinyl)phenyl]anthracen-9-yl]-9,9-diphenylindeno[2,1-d]pyrimidine;2'-[10-[4-(4,6-diphenyl-2-pyridinyl)phenyl]anthracen-9-yl]spiro[fluorene-9,9'-indeno[2,1-d]pyrimidine];2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,9-dimethylindeno[2,1-d]pyrimidine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,9-dimethylindeno[2,1-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine (PubChem CID 158355693) has the molecular formula C230H155N21 and a molecular weight of 3212.92 g/mol. Its IUPAC name is 2-[10-[4-(4,6-diphenyl-2-pyridinyl)phenyl]anthracen-9-yl]-9,9-diphenylindeno[2,1-d]pyrimidine;2'-[10-[4-(4,6-diphenyl-2-pyridinyl)phenyl]anthracen-9-yl]spiro[fluorene-9,9'-indeno[2,1-d]pyrimidine];2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,9-dimethylindeno[2,1-d]pyrimidine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,9-dimethylindeno[2,1-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine.
| Compound Name | 2-[10-[4-(4,6-diphenyl-2-pyridinyl)phenyl]anthracen-9-yl]-9,9-diphenylindeno[2,1-d]pyrimidine;2'-[10-[4-(4,6-diphenyl-2-pyridinyl)phenyl]anthracen-9-yl]spiro[fluorene-9,9'-indeno[2,1-d]pyrimidine];2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,9-dimethylindeno[2,1-d]pyrimidine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,9-dimethylindeno[2,1-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine |
|---|---|
| PubChem CID | 158355693 |
| Molecular Formula | C230H155N21 |
| Molecular Weight | 3212.92 g/mol |
| Exact Mass | 3210.28 |
| IUPAC Name | 2-[10-[4-(4,6-diphenyl-2-pyridinyl)phenyl]anthracen-9-yl]-9,9-diphenylindeno[2,1-d]pyrimidine;2'-[10-[4-(4,6-diphenyl-2-pyridinyl)phenyl]anthracen-9-yl]spiro[fluorene-9,9'-indeno[2,1-d]pyrimidine];2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,9-dimethylindeno[2,1-d]pyrimidine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,9-dimethylindeno[2,1-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine |
| SMILES | CC1(C)c2ccccc2-c2cnc(-c3ccc4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4c3)nc21.CC1(C)c2ccccc2-c2cnc(-c3ccc4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c3)nc21.CC1(C)c2ccccc2-c2cnc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)nc21.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4c5ccccc5c(-c5ncc6c(n5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5ccccc45)cc3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4c5ccccc5c(-c5ncc6c(n5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c5ccccc45)cc3)c2)cc1 |
| InChI | InChI=1S/C60H37N3.C60H39N3.2C38H27N5.C34H25N5/c1-3-17-38(18-4-1)42-35-54(39-19-5-2-6-20-39)62-55(36-42)40-31-33-41(34-32-40)56-46-24-7-9-26-48(46)57(49-27-10-8-25-47(49)56)59-61-37-50-45-23-13-16-30-53(45)60(58(50)63-59)51-28-14-11-21-43(51)44-22-12-15-29-52(44)60;1-5-19-40(20-6-1)44-37-54(41-21-7-2-8-22-41)62-55(38-44)42-33-35-43(36-34-42)56-48-28-13-15-30-50(48)57(51-31-16-14-29-49(51)56)59-61-39-52-47-27-17-18-32-53(47)60(58(52)63-59,45-23-9-3-10-24-45)46-25-11-4-12-26-46;1-38(2)32-16-10-9-15-30(32)31-23-39-34(40-33(31)38)27-19-17-24-18-20-28(22-29(24)21-27)37-42-35(25-11-5-3-6-12-25)41-36(43-37)26-13-7-4-8-14-26;1-38(2)32-16-10-9-15-30(32)31-23-39-34(40-33(31)38)28-19-17-27-22-29(20-18-26(27)21-28)37-42-35(24-11-5-3-6-12-24)41-36(43-37)25-13-7-4-8-14-25;1-34(2)28-19-10-9-18-26(28)27-21-35-30(36-29(27)34)24-16-11-17-25(20-24)33-38-31(22-12-5-3-6-13-22)37-32(39-33)23-14-7-4-8-15-23/h1-37H;1-39H;2*3-23H,1-2H3;3-21H,1-2H3 |
| InChIKey | GSVRJPMNVUYOPX-UHFFFAOYSA-N |
| XLogP | 54.95 |
| TPSA | 270.69 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 251 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3212.92 |
| LogP ≤ 5 | 54.95 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 21 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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