C386H242N14O16 — CID 157187041
9-phenyl-4-(6-phenyl-9,9'-spirobi[xanthene]-1-yl)carbazole;9-phenyl-4-(8'-phenyl-9,9'-spirobi[xanthene]-1'-yl)carbazole;9-phenyl-3-(3'-pyridin-2-yl-9,9'-spirobi[xanthene]-3-yl)carbazole;9-phenyl-3-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-4'-yl)carbazole;9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-1'-yl)carbazole;9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-2'-yl)carbazole;9-phenyl-4-(3'-pyridin-2-yl-9,9'-spirobi[xanthene]-3-yl)carbazole;9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-4'-yl)carbazole (PubChem CID 157187041) has the molecular formula C386H242N14O16 and a molecular weight of 5332.26 g/mol. Its IUPAC name is 9-phenyl-4-(6-phenyl-9,9'-spirobi[xanthene]-1-yl)carbazole;9-phenyl-4-(8'-phenyl-9,9'-spirobi[xanthene]-1'-yl)carbazole;9-phenyl-3-(3'-pyridin-2-yl-9,9'-spirobi[xanthene]-3-yl)carbazole;9-phenyl-3-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-4'-yl)carbazole;9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-1'-yl)carbazole;9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-2'-yl)carbazole;9-phenyl-4-(3'-pyridin-2-yl-9,9'-spirobi[xanthene]-3-yl)carbazole;9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-4'-yl)carbazole.
| Compound Name | 9-phenyl-4-(6-phenyl-9,9'-spirobi[xanthene]-1-yl)carbazole;9-phenyl-4-(8'-phenyl-9,9'-spirobi[xanthene]-1'-yl)carbazole;9-phenyl-3-(3'-pyridin-2-yl-9,9'-spirobi[xanthene]-3-yl)carbazole;9-phenyl-3-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-4'-yl)carbazole;9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-1'-yl)carbazole;9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-2'-yl)carbazole;9-phenyl-4-(3'-pyridin-2-yl-9,9'-spirobi[xanthene]-3-yl)carbazole;9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-4'-yl)carbazole |
|---|---|
| PubChem CID | 157187041 |
| Molecular Formula | C386H242N14O16 |
| Molecular Weight | 5332.26 g/mol |
| Exact Mass | 5327.86 |
| IUPAC Name | 9-phenyl-4-(6-phenyl-9,9'-spirobi[xanthene]-1-yl)carbazole;9-phenyl-4-(8'-phenyl-9,9'-spirobi[xanthene]-1'-yl)carbazole;9-phenyl-3-(3'-pyridin-2-yl-9,9'-spirobi[xanthene]-3-yl)carbazole;9-phenyl-3-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-4'-yl)carbazole;9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-1'-yl)carbazole;9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-2'-yl)carbazole;9-phenyl-4-(3'-pyridin-2-yl-9,9'-spirobi[xanthene]-3-yl)carbazole;9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-4'-yl)carbazole |
| SMILES | c1ccc(-c2ccc3c(c2)Oc2cccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)c2C32c3ccccc3Oc3ccccc32)cc1.c1ccc(-c2cccc3c2C2(c4ccccc4Oc4ccccc42)c2c(cccc2-c2cccc4c2c2ccccc2n4-c2ccccc2)O3)cc1.c1ccc(-n2c3ccccc3c3c(-c4ccc5c(c4)C4(c6ccccc6Oc6cc(-c7ccccn7)ccc64)c4ccccc4O5)cccc32)cc1.c1ccc(-n2c3ccccc3c3c(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5Oc5cc(-c6ccccn6)ccc54)cccc32)cc1.c1ccc(-n2c3ccccc3c3c(-c4cccc5c4C4(c6ccccc6Oc6cc(-c7ccccn7)ccc64)c4ccccc4O5)cccc32)cc1.c1ccc(-n2c3ccccc3c3c(-c4cccc5c4Oc4ccccc4C54c5ccccc5Oc5cc(-c6ccccn6)ccc54)cccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5Oc5cc(-c6ccccn6)ccc54)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc5c4Oc4ccccc4C54c5ccccc5Oc5cc(-c6ccccn6)ccc54)ccc32)cc1 |
| InChI | InChI=1S/2C49H31NO2.6C48H30N2O2/c1-3-16-32(17-4-1)34-21-14-30-44-47(34)49(38-24-8-11-28-42(38)51-43-29-12-9-25-39(43)49)48-36(23-15-31-45(48)52-44)35-22-13-27-41-46(35)37-20-7-10-26-40(37)50(41)33-18-5-2-6-19-33;1-3-15-32(16-4-1)33-29-30-40-46(31-33)52-45-28-14-21-36(48(45)49(40)38-22-8-11-26-43(38)51-44-27-12-9-23-39(44)49)35-20-13-25-42-47(35)37-19-7-10-24-41(37)50(42)34-17-5-2-6-18-34;1-2-14-32(15-3-1)50-41-23-7-4-16-35(41)46-33(17-13-24-42(46)50)34-18-12-21-39-47(34)52-44-26-9-6-20-37(44)48(39)36-19-5-8-25-43(36)51-45-30-31(27-28-38(45)48)40-22-10-11-29-49-40;1-2-14-32(15-3-1)50-40-22-7-4-16-35(40)46-33(17-12-23-41(46)50)34-18-13-26-44-47(34)48(36-19-5-8-24-42(36)51-44)37-20-6-9-25-43(37)52-45-30-31(27-28-38(45)48)39-21-10-11-29-49-39;1-2-13-33(14-3-1)50-42-21-7-4-15-35(42)36-29-31(25-27-43(36)50)34-16-12-19-40-47(34)52-45-23-9-6-18-38(45)48(40)37-17-5-8-22-44(37)51-46-30-32(24-26-39(46)48)41-20-10-11-28-49-41;1-2-13-33(14-3-1)50-41-20-7-4-15-35(41)47-34(16-12-21-42(47)50)31-25-27-45-39(29-31)48(36-17-5-8-22-43(36)51-45)37-18-6-9-23-44(37)52-46-30-32(24-26-38(46)48)40-19-10-11-28-49-40;1-2-13-33(14-3-1)50-41-20-7-4-15-35(41)47-34(16-12-21-42(47)50)31-24-26-38-45(29-31)51-43-22-8-5-17-36(43)48(38)37-18-6-9-23-44(37)52-46-30-32(25-27-39(46)48)40-19-10-11-28-49-40;1-2-12-34(13-3-1)50-42-18-7-4-14-35(42)36-28-31(23-26-43(36)50)32-21-24-39-46(29-32)51-44-19-8-5-15-37(44)48(39)38-16-6-9-20-45(38)52-47-30-33(22-25-40(47)48)41-17-10-11-27-49-41/h2*1-31H;6*1-30H |
| InChIKey | APFZCKIYBQQKGD-UHFFFAOYSA-N |
| XLogP | 98.06 |
| TPSA | 264.46 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 416 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5332.26 |
| LogP ≤ 5 | 98.06 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 30 |