C189H125NO2 — CID 157368151
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene;9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenanthren-9-ylanthracene;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;4-[3-(10-phenylanthracen-9-yl)phenyl]dibenzofuran;4-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran (PubChem CID 157368151) has the molecular formula C189H125NO2 and a molecular weight of 2447.11 g/mol. Its IUPAC name is 9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene;9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenanthren-9-ylanthracene;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;4-[3-(10-phenylanthracen-9-yl)phenyl]dibenzofuran;4-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran.
| Compound Name | 9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene;9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenanthren-9-ylanthracene;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;4-[3-(10-phenylanthracen-9-yl)phenyl]dibenzofuran;4-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran |
|---|---|
| PubChem CID | 157368151 |
| Molecular Formula | C189H125NO2 |
| Molecular Weight | 2447.11 g/mol |
| Exact Mass | 2445.00 |
| IUPAC Name | 9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene;9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenanthren-9-ylanthracene;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;4-[3-(10-phenylanthracen-9-yl)phenyl]dibenzofuran;4-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran |
| SMILES | CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21.[2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccccc23)c([2H])c1[2H].c1ccc(-c2c3ccccc3c(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cccc(-c4cccc5c4oc4ccccc45)c3)c3ccccc23)cc1 |
| InChI | InChI=1S/C41H30.C38H25N.2C38H24O.C34H22/c1-41(2)37-25-29(27-13-5-3-6-14-27)21-23-31(37)32-24-22-30(26-38(32)41)40-35-19-11-9-17-33(35)39(28-15-7-4-8-16-28)34-18-10-12-20-36(34)40;1-2-12-26(13-3-1)37-31-16-4-6-18-33(31)38(34-19-7-5-17-32(34)37)27-22-24-28(25-23-27)39-35-20-10-8-14-29(35)30-15-9-11-21-36(30)39;1-2-12-25(13-3-1)36-30-17-4-6-19-32(30)37(33-20-7-5-18-31(33)36)27-15-10-14-26(24-27)28-21-11-22-34-29-16-8-9-23-35(29)39-38(28)34;1-2-11-26(12-3-1)36-30-14-4-6-16-32(30)37(33-17-7-5-15-31(33)36)27-23-21-25(22-24-27)28-18-10-19-34-29-13-8-9-20-35(29)39-38(28)34;1-2-12-23(13-3-1)33-28-18-8-10-20-30(28)34(31-21-11-9-19-29(31)33)32-22-24-14-4-5-15-25(24)26-16-6-7-17-27(26)32/h3-26H,1-2H3;1-25H;2*1-24H;1-22H/i;;;;1D,2D,3D,12D,13D |
| InChIKey | BJKXMAPOQXIEJT-GHZAZCSRSA-N |
| XLogP | 53.14 |
| TPSA | 31.21 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 192 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2447.11 |
| LogP ≤ 5 | 53.14 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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