C231H176O47P10 — CID 160693252
1,8-bis(benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy)anthracene-9,10-dione;1,8-bis(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)anthracene-9,10-dione;[8-bis[2-(1,3-dioxolan-2-yl)phenoxy]phosphanyloxy-9,10-dioxoanthracen-1-yl] bis[2-(1,3-dioxolan-2-yl)phenyl] phosphite;[5-bis(2-methylphenoxy)phosphanyloxy-9H-xanthen-4-yl] bis(2-methylphenyl) phosphite;[8-bis(2-propan-2-ylphenoxy)phosphanyloxy-9,10-dioxoanthracen-1-yl] (2-methylphenyl) (2-propan-2-ylphenyl) phosphite (PubChem CID 160693252) has the molecular formula C231H176O47P10 and a molecular weight of 4013.64 g/mol. Its IUPAC name is 1,8-bis(benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy)anthracene-9,10-dione;1,8-bis(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)anthracene-9,10-dione;[8-bis[2-(1,3-dioxolan-2-yl)phenoxy]phosphanyloxy-9,10-dioxoanthracen-1-yl] bis[2-(1,3-dioxolan-2-yl)phenyl] phosphite;[5-bis(2-methylphenoxy)phosphanyloxy-9H-xanthen-4-yl] bis(2-methylphenyl) phosphite;[8-bis(2-propan-2-ylphenoxy)phosphanyloxy-9,10-dioxoanthracen-1-yl] (2-methylphenyl) (2-propan-2-ylphenyl) phosphite.
| Compound Name | 1,8-bis(benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy)anthracene-9,10-dione;1,8-bis(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)anthracene-9,10-dione;[8-bis[2-(1,3-dioxolan-2-yl)phenoxy]phosphanyloxy-9,10-dioxoanthracen-1-yl] bis[2-(1,3-dioxolan-2-yl)phenyl] phosphite;[5-bis(2-methylphenoxy)phosphanyloxy-9H-xanthen-4-yl] bis(2-methylphenyl) phosphite;[8-bis(2-propan-2-ylphenoxy)phosphanyloxy-9,10-dioxoanthracen-1-yl] (2-methylphenyl) (2-propan-2-ylphenyl) phosphite |
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| PubChem CID | 160693252 |
| Molecular Formula | C231H176O47P10 |
| Molecular Weight | 4013.64 g/mol |
| Exact Mass | 4010.88 |
| IUPAC Name | 1,8-bis(benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy)anthracene-9,10-dione;1,8-bis(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)anthracene-9,10-dione;[8-bis[2-(1,3-dioxolan-2-yl)phenoxy]phosphanyloxy-9,10-dioxoanthracen-1-yl] bis[2-(1,3-dioxolan-2-yl)phenyl] phosphite;[5-bis(2-methylphenoxy)phosphanyloxy-9H-xanthen-4-yl] bis(2-methylphenyl) phosphite;[8-bis(2-propan-2-ylphenoxy)phosphanyloxy-9,10-dioxoanthracen-1-yl] (2-methylphenyl) (2-propan-2-ylphenyl) phosphite |
| SMILES | Cc1ccccc1OP(Oc1ccccc1C(C)C)Oc1cccc2c1C(=O)c1c(OP(Oc3ccccc3C(C)C)Oc3ccccc3C(C)C)cccc1C2=O.Cc1ccccc1OP(Oc1ccccc1C)Oc1cccc2c1Oc1c(cccc1OP(Oc1ccccc1C)Oc1ccccc1C)C2.O=C1c2cccc(OP(Oc3ccccc3C3OCCO3)Oc3ccccc3C3OCCO3)c2C(=O)c2c(OP(Oc3ccccc3C3OCCO3)Oc3ccccc3C3OCCO3)cccc21.O=C1c2cccc(Op3oc4ccc5ccccc5c4c4c(ccc5ccccc54)o3)c2C(=O)c2c(Op3oc4ccc5ccccc5c4c4c(ccc5ccccc54)o3)cccc21.O=C1c2cccc(Op3oc4ccccc4c4ccccc4o3)c2C(=O)c2c(Op3oc4ccccc4c4ccccc4o3)cccc21 |
| InChI | InChI=1S/C54H30O8P2.C50H42O16P2.C48H46O8P2.C41H36O7P2.C38H22O8P2/c55-53-39-19-9-21-41(57-63-59-43-27-23-31-11-1-5-15-35(31)47(43)48-36-16-6-2-12-32(36)24-28-44(48)60-63)51(39)54(56)52-40(53)20-10-22-42(52)58-64-61-45-29-25-33-13-3-7-17-37(33)49(45)50-38-18-8-4-14-34(38)26-30-46(50)62-64;51-45-35-15-9-21-41(65-67(61-37-17-5-1-11-31(37)47-53-23-24-54-47)62-38-18-6-2-12-32(38)48-55-25-26-56-48)43(35)46(52)44-36(45)16-10-22-42(44)66-68(63-39-19-7-3-13-33(39)49-57-27-28-58-49)64-40-20-8-4-14-34(40)50-59-29-30-60-50;1-30(2)34-19-9-13-25-40(34)52-57(51-39-24-12-8-18-33(39)7)55-43-28-16-22-37-45(43)48(50)46-38(47(37)49)23-17-29-44(46)56-58(53-41-26-14-10-20-35(41)31(3)4)54-42-27-15-11-21-36(42)32(5)6;1-28-15-5-9-21-34(28)43-49(44-35-22-10-6-16-29(35)2)47-38-25-13-19-32-27-33-20-14-26-39(41(33)42-40(32)38)48-50(45-36-23-11-7-17-30(36)3)46-37-24-12-8-18-31(37)4;39-37-27-15-9-21-33(45-47-41-29-17-5-1-11-23(29)24-12-2-6-18-30(24)42-47)35(27)38(40)36-28(37)16-10-22-34(36)46-48-43-31-19-7-3-13-25(31)26-14-4-8-20-32(26)44-48/h1-30H;1-22,47-50H,23-30H2;8-32H,1-7H3;5-26H,27H2,1-4H3;1-22H |
| InChIKey | RPRIEJSKWZQHOY-UHFFFAOYSA-N |
| XLogP | 63.30 |
| TPSA | 527.81 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 47 |
| Rotatable Bonds | 51 |
| Heavy Atoms | 288 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4013.64 |
| LogP ≤ 5 | 63.30 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 47 |
| Structural Alerts | {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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