C314H189NO10S — CID 157491732
9-(10-dibenzofuran-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;9-(10-dibenzofuran-3-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;9-(10-dibenzofuran-4-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;9-(10-dibenzothiophen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;9-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;3-(10-naphtho[1,2-b][1]benzofuran-9-ylanthracen-9-yl)-9-phenylcarbazole (PubChem CID 157491732) has the molecular formula C314H189NO10S and a molecular weight of 4168.03 g/mol. Its IUPAC name is 9-(10-dibenzofuran-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;9-(10-dibenzofuran-3-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;9-(10-dibenzofuran-4-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;9-(10-dibenzothiophen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;9-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;3-(10-naphtho[1,2-b][1]benzofuran-9-ylanthracen-9-yl)-9-phenylcarbazole.
| Compound Name | 9-(10-dibenzofuran-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;9-(10-dibenzofuran-3-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;9-(10-dibenzofuran-4-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;9-(10-dibenzothiophen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;9-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;3-(10-naphtho[1,2-b][1]benzofuran-9-ylanthracen-9-yl)-9-phenylcarbazole |
|---|---|
| PubChem CID | 157491732 |
| Molecular Formula | C314H189NO10S |
| Molecular Weight | 4168.03 g/mol |
| Exact Mass | 4164.40 |
| IUPAC Name | 9-(10-dibenzofuran-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;9-(10-dibenzofuran-3-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;9-(10-dibenzofuran-4-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;9-(10-dibenzothiophen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;9-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;3-(10-naphtho[1,2-b][1]benzofuran-9-ylanthracen-9-yl)-9-phenylcarbazole |
| SMILES | CC1(C)c2cc(-c3c4ccccc4c(-c4ccc5c(c4)oc4c6ccccc6ccc54)c4ccccc34)ccc2-c2c1ccc1ccccc21.CC1(C)c2ccccc2-c2c1cc(-c1c3ccccc3c(-c3ccc4c(c3)oc3c5ccccc5ccc43)c3ccccc13)c1ccccc21.c1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5c(-c5ccc6c(c5)oc5c7ccccc7ccc65)c5ccccc45)ccc32)cc1.c1ccc2c(c1)ccc1c3ccc(-c4c5ccccc5c(-c5ccc6c(c5)oc5ccccc56)c5ccccc45)cc3oc21.c1ccc2c(c1)ccc1c3ccc(-c4c5ccccc5c(-c5ccc6oc7ccccc7c6c5)c5ccccc45)cc3oc21.c1ccc2c(c1)ccc1c3ccc(-c4c5ccccc5c(-c5ccc6sc7ccccc7c6c5)c5ccccc45)cc3oc21.c1ccc2c(c1)ccc1c3ccc(-c4c5ccccc5c(-c5cccc6c5oc5ccccc56)c5ccccc45)cc3oc21 |
| InChI | InChI=1S/2C49H32O.C48H29NO.3C42H24O2.C42H24OS/c1-49(2)42-26-22-29-11-3-5-13-33(29)47(42)41-25-21-31(27-43(41)49)45-36-15-7-9-17-38(36)46(39-18-10-8-16-37(39)45)32-20-23-35-40-24-19-30-12-4-6-14-34(30)48(40)50-44(35)28-32;1-49(2)42-22-12-11-21-40(42)47-34-16-6-5-15-32(34)41(28-43(47)49)46-37-19-9-7-17-35(37)45(36-18-8-10-20-38(36)46)30-24-25-33-39-26-23-29-13-3-4-14-31(29)48(39)50-44(33)27-30;1-2-13-33(14-3-1)49-43-21-11-10-16-35(43)42-28-31(24-27-44(42)49)46-37-17-6-8-19-39(37)47(40-20-9-7-18-38(40)46)32-23-25-36-41-26-22-30-12-4-5-15-34(30)48(41)50-45(36)29-32;1-2-11-27-25(10-1)20-23-35-29-22-21-26(24-38(29)44-41(27)35)39-30-13-3-5-15-32(30)40(33-16-6-4-14-31(33)39)36-18-9-17-34-28-12-7-8-19-37(28)43-42(34)36;1-2-10-28-25(9-1)17-22-36-31-21-19-27(24-39(31)44-42(28)36)41-34-14-5-3-12-32(34)40(33-13-4-6-15-35(33)41)26-18-20-30-29-11-7-8-16-37(29)43-38(30)23-26;1-2-10-28-25(9-1)17-21-35-30-20-18-27(24-39(30)44-42(28)35)41-33-14-5-3-12-31(33)40(32-13-4-6-15-34(32)41)26-19-22-38-36(23-26)29-11-7-8-16-37(29)43-38;1-2-10-28-25(9-1)17-21-35-29-20-18-27(24-37(29)43-42(28)35)41-33-14-5-3-12-31(33)40(32-13-4-6-15-34(32)41)26-19-22-39-36(23-26)30-11-7-8-16-38(30)44-39/h2*3-28H,1-2H3;1-29H;4*1-24H |
| InChIKey | BXIXCNIFDQOEFS-UHFFFAOYSA-N |
| XLogP | 90.74 |
| TPSA | 136.33 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 326 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4168.03 |
| LogP ≤ 5 | 90.74 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |