C265H180N10O5 — CID 157359395
2-N,2-N,2-N',2-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,2'-diamine;2-N,2-N,3-N',3-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,3'-diamine;2-N',2-N',3-N,3-N-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2',3-diamine;2-N,2-N,4-N',4-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,4'-diamine;3-N,3-N,4-N',4-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-3,4'-diamine (PubChem CID 157359395) has the molecular formula C265H180N10O5 and a molecular weight of 3584.42 g/mol. Its IUPAC name is 2-N,2-N,2-N',2-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,2'-diamine;2-N,2-N,3-N',3-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,3'-diamine;2-N',2-N',3-N,3-N-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2',3-diamine;2-N,2-N,4-N',4-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,4'-diamine;3-N,3-N,4-N',4-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-3,4'-diamine.
| Compound Name | 2-N,2-N,2-N',2-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,2'-diamine;2-N,2-N,3-N',3-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,3'-diamine;2-N',2-N',3-N,3-N-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2',3-diamine;2-N,2-N,4-N',4-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,4'-diamine;3-N,3-N,4-N',4-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-3,4'-diamine |
|---|---|
| PubChem CID | 157359395 |
| Molecular Formula | C265H180N10O5 |
| Molecular Weight | 3584.42 g/mol |
| Exact Mass | 3581.41 |
| IUPAC Name | 2-N,2-N,2-N',2-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,2'-diamine;2-N,2-N,3-N',3-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,3'-diamine;2-N',2-N',3-N,3-N-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2',3-diamine;2-N,2-N,4-N',4-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,4'-diamine;3-N,3-N,4-N',4-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-3,4'-diamine |
| SMILES | c1ccc(N(c2ccccc2)c2ccc3c(c2)-c2ccccc2C32c3cc(N(c4ccccc4)c4ccccc4)ccc3Oc3cc4ccccc4cc32)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4cc5ccccc5cc4O3)c3ccccc3-c3c(N(c4ccccc4)c4ccccc4)cccc32)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4cc5ccccc5cc4O3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccccc4)cc32)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)Oc2cc4ccccc4cc2C32c3ccccc3-c3c(N(c4ccccc4)c4ccccc4)cccc32)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)Oc2cc4ccccc4cc2C32c3ccccc3-c3ccc(N(c4ccccc4)c4ccccc4)cc32)cc1 |
| InChI | InChI=1S/5C53H36N2O/c1-5-20-39(21-6-1)54(40-22-7-2-8-23-40)43-32-33-46-51(36-43)56-50-35-38-19-14-13-18-37(38)34-48(50)53(46)45-29-16-15-28-44(45)52-47(53)30-17-31-49(52)55(41-24-9-3-10-25-41)42-26-11-4-12-27-42;1-5-20-39(21-6-1)54(40-22-7-2-8-23-40)43-32-33-50-48(36-43)53(47-34-37-18-13-14-19-38(37)35-51(47)56-50)45-29-16-15-28-44(45)52-46(53)30-17-31-49(52)55(41-24-9-3-10-25-41)42-26-11-4-12-27-42;1-5-19-39(20-6-1)54(40-21-7-2-8-22-40)43-29-31-48-46(35-43)45-27-15-16-28-47(45)53(48)49-33-37-17-13-14-18-38(37)34-52(49)56-51-32-30-44(36-50(51)53)55(41-23-9-3-10-24-41)42-25-11-4-12-26-42;1-5-19-39(20-6-1)54(40-21-7-2-8-22-40)43-29-31-46-45-27-15-16-28-47(45)53(48(46)35-43)49-33-37-17-13-14-18-38(37)34-52(49)56-51-32-30-44(36-50(51)53)55(41-23-9-3-10-24-41)42-25-11-4-12-26-42;1-5-19-39(20-6-1)54(40-21-7-2-8-22-40)43-29-31-46-45-27-15-16-28-47(45)53(49(46)35-43)48-32-30-44(55(41-23-9-3-10-24-41)42-25-11-4-12-26-42)36-52(48)56-51-34-38-18-14-13-17-37(38)33-50(51)53/h5*1-36H |
| InChIKey | BILMRPVZWPPXGI-UHFFFAOYSA-N |
| XLogP | 71.24 |
| TPSA | 78.55 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 280 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3584.42 |
| LogP ≤ 5 | 71.24 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |