C210H130O5 — CID 162126993
2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran (PubChem CID 162126993) has the molecular formula C210H130O5 and a molecular weight of 2733.34 g/mol. Its IUPAC name is 2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran.
| Compound Name | 2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran |
|---|---|
| PubChem CID | 162126993 |
| Molecular Formula | C210H130O5 |
| Molecular Weight | 2733.34 g/mol |
| Exact Mass | 2730.99 |
| IUPAC Name | 2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran |
| SMILES | c1cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc(-c2cccc3c2oc2ccccc23)c1.c1cc(-c2ccc3oc4ccccc4c3c2)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1.c1ccc(-c2cccc3c2oc2ccccc23)c(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccccc34)ccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccccc34)ccc2c1 |
| InChI | InChI=1S/5C42H26O/c1-2-12-28-25-31(24-23-27(28)11-1)41-36-18-5-3-16-34(36)40(35-17-4-6-19-37(35)41)30-14-9-13-29(26-30)32-20-10-21-38-33-15-7-8-22-39(33)43-42(32)38;1-2-11-28-24-32(21-20-27(28)10-1)42-36-17-5-3-15-34(36)41(35-16-4-6-18-37(35)42)31-13-9-12-29(25-31)30-22-23-40-38(26-30)33-14-7-8-19-39(33)43-40;1-2-11-30-26-31(25-20-27(30)10-1)41-36-15-5-3-13-34(36)40(35-14-4-6-16-37(35)41)29-23-21-28(22-24-29)32-17-9-18-38-33-12-7-8-19-39(33)43-42(32)38;1-2-10-30-25-32(22-19-27(30)9-1)42-36-14-5-3-12-34(36)41(35-13-4-6-15-37(35)42)29-20-17-28(18-21-29)31-23-24-40-38(26-31)33-11-7-8-16-39(33)43-40;1-2-13-28-26-29(25-24-27(28)12-1)40-33-17-5-7-19-35(33)41(36-20-8-6-18-34(36)40)32-16-4-3-14-30(32)37-21-11-22-38-31-15-9-10-23-39(31)43-42(37)38/h5*1-26H |
| InChIKey | ZIDXLTQSVZXOFJ-UHFFFAOYSA-N |
| XLogP | 60.23 |
| TPSA | 65.70 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 215 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2733.34 |
| LogP ≤ 5 | 60.23 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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