C298H186O2 — CID 160952917
9-(4-naphthalen-1-ylnaphthalen-1-yl)-10-phenanthren-2-ylanthracene;2-[6-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-2-yl]dibenzofuran;4-[4-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;9-phenanthren-2-yl-10-[4-(2-phenylphenyl)naphthalen-1-yl]anthracene;9-phenanthren-2-yl-10-[4-(3-phenylphenyl)naphthalen-1-yl]anthracene;9-phenanthren-2-yl-10-[4-(4-phenylphenyl)naphthalen-1-yl]anthracene (PubChem CID 160952917) has the molecular formula C298H186O2 and a molecular weight of 3798.76 g/mol. Its IUPAC name is 9-(4-naphthalen-1-ylnaphthalen-1-yl)-10-phenanthren-2-ylanthracene;2-[6-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-2-yl]dibenzofuran;4-[4-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;9-phenanthren-2-yl-10-[4-(2-phenylphenyl)naphthalen-1-yl]anthracene;9-phenanthren-2-yl-10-[4-(3-phenylphenyl)naphthalen-1-yl]anthracene;9-phenanthren-2-yl-10-[4-(4-phenylphenyl)naphthalen-1-yl]anthracene.
| Compound Name | 9-(4-naphthalen-1-ylnaphthalen-1-yl)-10-phenanthren-2-ylanthracene;2-[6-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-2-yl]dibenzofuran;4-[4-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;9-phenanthren-2-yl-10-[4-(2-phenylphenyl)naphthalen-1-yl]anthracene;9-phenanthren-2-yl-10-[4-(3-phenylphenyl)naphthalen-1-yl]anthracene;9-phenanthren-2-yl-10-[4-(4-phenylphenyl)naphthalen-1-yl]anthracene |
|---|---|
| PubChem CID | 160952917 |
| Molecular Formula | C298H186O2 |
| Molecular Weight | 3798.76 g/mol |
| Exact Mass | 3795.45 |
| IUPAC Name | 9-(4-naphthalen-1-ylnaphthalen-1-yl)-10-phenanthren-2-ylanthracene;2-[6-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-2-yl]dibenzofuran;4-[4-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;9-phenanthren-2-yl-10-[4-(2-phenylphenyl)naphthalen-1-yl]anthracene;9-phenanthren-2-yl-10-[4-(3-phenylphenyl)naphthalen-1-yl]anthracene;9-phenanthren-2-yl-10-[4-(4-phenylphenyl)naphthalen-1-yl]anthracene |
| SMILES | c1ccc(-c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccc6c(ccc7ccccc76)c5)c5ccccc45)c4ccccc34)cc2)cc1.c1ccc(-c2cccc(-c3ccc(-c4c5ccccc5c(-c5ccc6c(ccc7ccccc76)c5)c5ccccc45)c4ccccc34)c2)cc1.c1ccc(-c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(ccc6ccccc65)c4)c4ccccc34)c3ccccc23)cc1.c1ccc2c(-c3ccc(-c4c5ccccc5c(-c5ccc6c(ccc7ccccc76)c5)c5ccccc45)c4ccccc34)cccc2c1.c1ccc2c(c1)ccc1cc(-c3c4ccccc4c(-c4ccc(-c5cccc6c5oc5ccccc56)c5ccccc45)c4ccccc34)ccc12.c1ccc2c(c1)ccc1cc(-c3c4ccccc4c(-c4ccc5cc(-c6ccc7oc8ccccc8c7c6)ccc5c4)c4ccccc34)ccc12 |
| InChI | InChI=1S/2C50H30O.3C50H32.C48H30/c1-2-10-39-31(9-1)17-21-36-29-38(23-25-40(36)39)50-44-14-5-3-12-42(44)49(43-13-4-6-15-45(43)50)37-22-20-32-27-33(18-19-34(32)28-37)35-24-26-48-46(30-35)41-11-7-8-16-47(41)51-48;1-2-13-34-31(12-1)24-25-32-30-33(26-27-35(32)34)48-40-17-5-7-19-42(40)49(43-20-8-6-18-41(43)48)44-29-28-38(36-14-3-4-15-37(36)44)45-21-11-22-46-39-16-9-10-23-47(39)51-50(45)46;1-2-13-33(14-3-1)35-16-12-17-36(31-35)41-29-30-48(43-20-7-6-19-42(41)43)50-46-23-10-8-21-44(46)49(45-22-9-11-24-47(45)50)38-27-28-40-37(32-38)26-25-34-15-4-5-18-39(34)40;1-2-12-33(13-3-1)34-22-24-36(25-23-34)40-30-31-48(43-17-7-6-16-42(40)43)50-46-20-10-8-18-44(46)49(45-19-9-11-21-47(45)50)38-28-29-41-37(32-38)27-26-35-14-4-5-15-39(35)41;1-2-14-33(15-3-1)38-18-6-7-19-40(38)43-30-31-48(42-21-9-8-20-41(42)43)50-46-24-12-10-22-44(46)49(45-23-11-13-25-47(45)50)36-28-29-39-35(32-36)27-26-34-16-4-5-17-37(34)39;1-4-16-36-31(12-1)14-11-23-38(36)41-28-29-46(40-18-6-5-17-39(40)41)48-44-21-9-7-19-42(44)47(43-20-8-10-22-45(43)48)34-26-27-37-33(30-34)25-24-32-13-2-3-15-35(32)37/h2*1-30H;3*1-32H;1-30H |
| InChIKey | SVZQNBMHAQXLIQ-UHFFFAOYSA-N |
| XLogP | 84.67 |
| TPSA | 26.28 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 300 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3798.76 |
| LogP ≤ 5 | 84.67 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |