C402H258N8S6 — CID 163748112
3-carbazol-9-yl-9-dibenzothiophen-2-ylcarbazole;3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenanthro[9,10-c]pyridine;7,7-dimethyl-5-phenyl-2-(3-triphenylen-2-ylphenyl)indeno[2,1-b]carbazole;3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,2,3,4,8b,12a-hexahydrophenanthro[9,10-c]pyridine;4-(4-phenylphenyl)-6-triphenylen-2-yldibenzothiophene;9-phenyl-3-(3-triphenylen-2-ylphenyl)carbazole;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;4-triphenylen-2-yldibenzothiophene;9-(3-triphenylen-2-ylphenyl)carbazole;11-(3-triphenylen-2-ylphenyl)phenanthro[9,10-b]pyridine (PubChem CID 163748112) has the molecular formula C402H258N8S6 and a molecular weight of 5392.94 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-dibenzothiophen-2-ylcarbazole;3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenanthro[9,10-c]pyridine;7,7-dimethyl-5-phenyl-2-(3-triphenylen-2-ylphenyl)indeno[2,1-b]carbazole;3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,2,3,4,8b,12a-hexahydrophenanthro[9,10-c]pyridine;4-(4-phenylphenyl)-6-triphenylen-2-yldibenzothiophene;9-phenyl-3-(3-triphenylen-2-ylphenyl)carbazole;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;4-triphenylen-2-yldibenzothiophene;9-(3-triphenylen-2-ylphenyl)carbazole;11-(3-triphenylen-2-ylphenyl)phenanthro[9,10-b]pyridine.
| Compound Name | 3-carbazol-9-yl-9-dibenzothiophen-2-ylcarbazole;3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenanthro[9,10-c]pyridine;7,7-dimethyl-5-phenyl-2-(3-triphenylen-2-ylphenyl)indeno[2,1-b]carbazole;3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,2,3,4,8b,12a-hexahydrophenanthro[9,10-c]pyridine;4-(4-phenylphenyl)-6-triphenylen-2-yldibenzothiophene;9-phenyl-3-(3-triphenylen-2-ylphenyl)carbazole;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;4-triphenylen-2-yldibenzothiophene;9-(3-triphenylen-2-ylphenyl)carbazole;11-(3-triphenylen-2-ylphenyl)phenanthro[9,10-b]pyridine |
|---|---|
| PubChem CID | 163748112 |
| Molecular Formula | C402H258N8S6 |
| Molecular Weight | 5392.94 g/mol |
| Exact Mass | 5387.88 |
| IUPAC Name | 3-carbazol-9-yl-9-dibenzothiophen-2-ylcarbazole;3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenanthro[9,10-c]pyridine;7,7-dimethyl-5-phenyl-2-(3-triphenylen-2-ylphenyl)indeno[2,1-b]carbazole;3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,2,3,4,8b,12a-hexahydrophenanthro[9,10-c]pyridine;4-(4-phenylphenyl)-6-triphenylen-2-yldibenzothiophene;9-phenyl-3-(3-triphenylen-2-ylphenyl)carbazole;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;4-triphenylen-2-yldibenzothiophene;9-(3-triphenylen-2-ylphenyl)carbazole;11-(3-triphenylen-2-ylphenyl)phenanthro[9,10-b]pyridine |
| SMILES | C1=CC2C3=C(CC(c4cccc(-c5cccc6c5sc5c(-c7ccccc7)cccc56)c4)NC3)c3ccccc3C2C=C1.CC1(C)c2ccccc2-c2cc3c4cc(-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)ccc4n(-c4ccccc4)c3cc21.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2ccc3c4ccccc4c4cccnc4c3c2)c1.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-n2c3ccccc3c3ccccc32)c1.c1cc(-c2cccc(-c3cccc4c3sc3ccccc34)c2)cc(-c2cc3c4ccccc4c4ccccc4c3cn2)c1.c1ccc(-c2ccc(-c3cccc4c3sc3c(-c5ccc6c7ccccc7c7ccccc7c6c5)cccc34)cc2)cc1.c1ccc(-c2cccc3c2sc2c(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)cccc23)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)ccc32)cc1.c1ccc2c(c1)sc1c(-c3ccc4c5ccccc5c5ccccc5c4c3)cccc12.c1ccc2c(c1)sc1ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc12 |
| InChI | InChI=1S/C51H35N.C42H27N.2C42H26S.C41H25NS.C41H31NS.C41H25N.C36H22N2S.C36H23N.C30H18S/c1-51(2)47-22-11-10-21-42(47)44-30-46-45-29-35(24-26-49(45)52(50(46)31-48(44)51)36-15-4-3-5-16-36)33-14-12-13-32(27-33)34-23-25-41-39-19-7-6-17-37(39)38-18-8-9-20-40(38)43(41)28-34;1-2-13-32(14-3-1)43-41-20-9-8-19-38(41)40-27-31(22-24-42(40)43)29-12-10-11-28(25-29)30-21-23-37-35-17-5-4-15-33(35)34-16-6-7-18-36(34)39(37)26-30;1-2-11-27(12-3-1)31-19-9-21-38-39-22-10-20-32(42(39)43-41(31)38)30-14-8-13-28(25-30)29-23-24-37-35-17-5-4-15-33(35)34-16-6-7-18-36(34)40(37)26-29;1-2-10-27(11-3-1)28-20-22-29(23-21-28)31-16-8-18-38-39-19-9-17-32(42(39)43-41(31)38)30-24-25-37-35-14-5-4-12-33(35)34-13-6-7-15-36(34)40(37)26-30;1-3-16-33-31(14-1)32-15-2-4-17-34(32)38-25-42-39(24-37(33)38)29-13-8-11-27(23-29)26-10-7-12-28(22-26)30-19-9-20-36-35-18-5-6-21-40(35)43-41(30)36;1-2-11-26(12-3-1)29-19-9-21-35-36-22-10-20-30(41(36)43-40(29)35)27-13-8-14-28(23-27)39-24-37-33-17-6-4-15-31(33)32-16-5-7-18-34(32)38(37)25-42-39;1-2-13-32-30(11-1)31-12-4-6-16-35(31)39-24-28(18-20-36(32)39)26-9-7-10-27(23-26)29-19-21-37-33-14-3-5-15-34(33)38-17-8-22-42-41(38)40(37)25-29;1-5-13-31-25(9-1)26-10-2-6-14-32(26)37(31)23-17-19-34-29(21-23)27-11-3-7-15-33(27)38(34)24-18-20-36-30(22-24)28-12-4-8-16-35(28)39-36;1-2-14-29-27(12-1)28-13-3-4-15-30(28)34-23-25(20-21-31(29)34)24-10-9-11-26(22-24)37-35-18-7-5-16-32(35)33-17-6-8-19-36(33)37;1-2-10-23-21(8-1)22-9-3-4-11-24(22)28-18-19(16-17-25(23)28)20-13-7-14-27-26-12-5-6-15-29(26)31-30(20)27/h3-31H,1-2H3;1-27H;2*1-26H;1-25H;1-23,32,34,39,42H,24-25H2;1-25H;1-22H;1-23H;1-18H |
| InChIKey | LNQJTCNZCMANDE-UHFFFAOYSA-N |
| XLogP | 113.79 |
| TPSA | 62.46 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 416 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5392.94 |
| LogP ≤ 5 | 113.79 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 14 |