6-hydroxy-8-(6-hydroxy-6-oxo-4-phenylnaphtho[2,3-d][1,3,2]benzodioxaphosphepin-8-yl)-4-phenylnaphtho[2,3-d][1,3,2]benzodioxaphosphepine 6-oxide;1-[2-hydroxy-3-(2-hydroxy-3-phenylphenyl)naphthalen-1-yl]-3-(2-hydroxy-3-phenylphenyl)naphthalen-2-ol;phosphoryl trichloride;hydrate

C88H60Cl3O14P3 — CID 159270057

IUPAC6-hydroxy-8-(6-hydroxy-6-oxo-4-phenylnaphtho[2,3-d][1,3,2]benzodioxaphosphepin-8-yl)-4-phenylnaphtho[2,3-d][1,3,2]benzodioxaphosphepine 6-oxide;1-[2-hydroxy-3-(2-hydroxy-3-phenylphenyl)naphthalen-1-yl]-3-(2-hydroxy-3-phenylphenyl)naphthalen-2-ol;phosphoryl trichloride;hydrate
SMILESO.O=P(Cl)(Cl)Cl.O=P1(O)Oc2c(-c3ccccc3)cccc2-c2cc3ccccc3c(-c3c4c(cc5ccccc35)-c3cccc(-c5ccccc5)c3OP(=O)(O)O4)c2O1.Oc1c(-c2ccccc2)cccc1-c1cc2ccccc2c(-c2c(O)c(-c3cccc(-c4ccccc4)c3O)cc3ccccc23)c1O
InChIInChI=1S/C44H28O8P2.C44H30O4.Cl3OP.H2O/c45-53(46)49-41-33(27-13-3-1-4-14-27)21-11-23-35(41)37-25-29-17-7-9-19-31(29)39(43(37)51-53)40-32-20-10-8-18-30(32)26-38-36-24-12-22-34(28-15-5-2-6-16-28)42(36)50-54(47,48)52-44(38)40;45-41-33(27-13-3-1-4-14-27)21-11-23-35(41)37-25-29-17-7-9-19-31(29)39(43(37)47)40-32-20-10-8-18-30(32)26-38(44(40)48)36-24-12-22-34(42(36)46)28-15-5-2-6-16-28;1-5(2,3)4;/h1-26H,(H,45,46)(H,47,48);1-26,45-48H;;1H2
InChIKeyJYSUMHAURTTXNX-UHFFFAOYSA-N
MW1540.71 g/mol
LogP25.21
Rot. Bonds8

About 6-hydroxy-8-(6-hydroxy-6-oxo-4-phenylnaphtho[2,3-d][1,3,2]benzodioxaphosphepin-8-yl)-4-phenylnaphtho[2,3-d][1,3,2]benzodioxaphosphepine 6-oxide;1-[2-hydroxy-3-(2-hydroxy-3-phenylphenyl)naphthalen-1-yl]-3-(2-hydroxy-3-phenylphenyl)naphthalen-2-ol;phosphoryl trichloride;hydrate

6-hydroxy-8-(6-hydroxy-6-oxo-4-phenylnaphtho[2,3-d][1,3,2]benzodioxaphosphepin-8-yl)-4-phenylnaphtho[2,3-d][1,3,2]benzodioxaphosphepine 6-oxide;1-[2-hydroxy-3-(2-hydroxy-3-phenylphenyl)naphthalen-1-yl]-3-(2-hydroxy-3-phenylphenyl)naphthalen-2-ol;phosphoryl trichloride;hydrate (PubChem CID 159270057) has the molecular formula C88H60Cl3O14P3 and a molecular weight of 1540.71 g/mol. Its IUPAC name is 6-hydroxy-8-(6-hydroxy-6-oxo-4-phenylnaphtho[2,3-d][1,3,2]benzodioxaphosphepin-8-yl)-4-phenylnaphtho[2,3-d][1,3,2]benzodioxaphosphepine 6-oxide;1-[2-hydroxy-3-(2-hydroxy-3-phenylphenyl)naphthalen-1-yl]-3-(2-hydroxy-3-phenylphenyl)naphthalen-2-ol;phosphoryl trichloride;hydrate.

Molecular Properties

Compound Name6-hydroxy-8-(6-hydroxy-6-oxo-4-phenylnaphtho[2,3-d][1,3,2]benzodioxaphosphepin-8-yl)-4-phenylnaphtho[2,3-d][1,3,2]benzodioxaphosphepine 6-oxide;1-[2-hydroxy-3-(2-hydroxy-3-phenylphenyl)naphthalen-1-yl]-3-(2-hydroxy-3-phenylphenyl)naphthalen-2-ol;phosphoryl trichloride;hydrate
PubChem CID159270057
Molecular FormulaC88H60Cl3O14P3
Molecular Weight1540.71 g/mol
Exact Mass1538.23
IUPAC Name6-hydroxy-8-(6-hydroxy-6-oxo-4-phenylnaphtho[2,3-d][1,3,2]benzodioxaphosphepin-8-yl)-4-phenylnaphtho[2,3-d][1,3,2]benzodioxaphosphepine 6-oxide;1-[2-hydroxy-3-(2-hydroxy-3-phenylphenyl)naphthalen-1-yl]-3-(2-hydroxy-3-phenylphenyl)naphthalen-2-ol;phosphoryl trichloride;hydrate
SMILESO.O=P(Cl)(Cl)Cl.O=P1(O)Oc2c(-c3ccccc3)cccc2-c2cc3ccccc3c(-c3c4c(cc5ccccc35)-c3cccc(-c5ccccc5)c3OP(=O)(O)O4)c2O1.Oc1c(-c2ccccc2)cccc1-c1cc2ccccc2c(-c2c(O)c(-c3cccc(-c4ccccc4)c3O)cc3ccccc23)c1O
InChIInChI=1S/C44H28O8P2.C44H30O4.Cl3OP.H2O/c45-53(46)49-41-33(27-13-3-1-4-14-27)21-11-23-35(41)37-25-29-17-7-9-19-31(29)39(43(37)51-53)40-32-20-10-8-18-30(32)26-38-36-24-12-22-34(28-15-5-2-6-16-28)42(36)50-54(47,48)52-44(38)40;45-41-33(27-13-3-1-4-14-27)21-11-23-35(41)37-25-29-17-7-9-19-31(29)39(43(37)47)40-32-20-10-8-18-30(32)26-38(44(40)48)36-24-12-22-34(42(36)46)28-15-5-2-6-16-28;1-5(2,3)4;/h1-26H,(H,45,46)(H,47,48);1-26,45-48H;;1H2
InChIKeyJYSUMHAURTTXNX-UHFFFAOYSA-N
XLogP25.21
TPSA241.01 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001540.71
LogP ≤ 525.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 6-hydroxy-8-(6-hydroxy-6-oxo-4-phenylnaphtho[2,3-d][1,3,2]benzodioxaphosphepin-8-yl)-4-phenylnaphtho[2,3-d][1,3,2]benzodioxaphosphepine 6-oxide;1-[2-hydroxy-3-(2-hydroxy-3-phenylphenyl)naphthalen-1-yl]-3-(2-hydroxy-3-phenylphenyl)naphthalen-2-ol;phosphoryl trichloride;hydrate with MolForge

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Related Compounds

13-hydroxy-10,16-bis(4-phenylnaphthalen-2-yl)-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
CID 135081905
6-hydroxy-4,8-diphenylbenzo[d][1,3,2]benzodioxaphosphepine 6-oxide
CID 25138423
13-hydroxy-10,16-bis(4-methylphenyl)-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
CID 23110717
13-hydroxy-10,16-bis(2-methoxyphenyl)-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
CID 102147274
10,16-di(anthracen-9-yl)-13-hydroxy-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide;pyridine
CID 11851157
17-hydroxy-3,31-diphenyl-16,18-dioxa-17λ5-phosphaheptacyclo[17.12.0.02,15.05,14.08,13.020,29.021,26]hentriaconta-1(31),2,4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene 17-oxide;13-hydroxy-3,23-diphenyl-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.05,10.016,21]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
CID 162169936
dichlorotitanium;1-(2-hydroxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-ol
CID 58639284
10,16-bis[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-13-hydroxy-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
CID 46176937
13-hydroxy-10,16-bis(2-methoxynaphthalen-1-yl)-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.04,9.017,22]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaene 13-oxide
CID 101461300
1-naphthalen-1-yl-3-phenylnaphthalen-2-ol
CID 11982733
10,16-bis[2,4-bis(trifluoromethyl)phenyl]-13-hydroxy-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
CID 50901900
10,16-bis(2-ethoxy-5-methylphenyl)-13-hydroxy-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
CID 155009246

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-8-(6-hydroxy-6-oxo-4-phenylnaphtho[2,3-d][1,3,2]benzodioxaphosphepin-8-yl)-4-phenylnaphtho[2,3-d][1,3,2]benzodioxaphosphepine 6-oxide;1-[2-hydroxy-3-(2-hydroxy-3-phenylphenyl)naphthalen-1-yl]-3-(2-hydroxy-3-phenylphenyl)naphthalen-2-ol;phosphoryl trichloride;hydrate?
The IUPAC name of 6-hydroxy-8-(6-hydroxy-6-oxo-4-phenylnaphtho[2,3-d][1,3,2]benzodioxaphosphepin-8-yl)-4-phenylnaphtho[2,3-d][1,3,2]benzodioxaphosphepine 6-oxide;1-[2-hydroxy-3-(2-hydroxy-3-phenylphenyl)naphthalen-1-yl]-3-(2-hydroxy-3-phenylphenyl)naphthalen-2-ol;phosphoryl trichloride;hydrate (CID 159270057) is 6-hydroxy-8-(6-hydroxy-6-oxo-4-phenylnaphtho[2,3-d][1,3,2]benzodioxaphosphepin-8-yl)-4-phenylnaphtho[2,3-d][1,3,2]benzodioxaphosphepine 6-oxide;1-[2-hydroxy-3-(2-hydroxy-3-phenylphenyl)naphthalen-1-yl]-3-(2-hydroxy-3-phenylphenyl)naphthalen-2-ol;phosphoryl trichloride;hydrate.
What is the SMILES notation for 6-hydroxy-8-(6-hydroxy-6-oxo-4-phenylnaphtho[2,3-d][1,3,2]benzodioxaphosphepin-8-yl)-4-phenylnaphtho[2,3-d][1,3,2]benzodioxaphosphepine 6-oxide;1-[2-hydroxy-3-(2-hydroxy-3-phenylphenyl)naphthalen-1-yl]-3-(2-hydroxy-3-phenylphenyl)naphthalen-2-ol;phosphoryl trichloride;hydrate?
The canonical SMILES for 6-hydroxy-8-(6-hydroxy-6-oxo-4-phenylnaphtho[2,3-d][1,3,2]benzodioxaphosphepin-8-yl)-4-phenylnaphtho[2,3-d][1,3,2]benzodioxaphosphepine 6-oxide;1-[2-hydroxy-3-(2-hydroxy-3-phenylphenyl)naphthalen-1-yl]-3-(2-hydroxy-3-phenylphenyl)naphthalen-2-ol;phosphoryl trichloride;hydrate is O.O=P(Cl)(Cl)Cl.O=P1(O)Oc2c(-c3ccccc3)cccc2-c2cc3ccccc3c(-c3c4c(cc5ccccc35)-c3cccc(-c5ccccc5)c3OP(=O)(O)O4)c2O1.Oc1c(-c2ccccc2)cccc1-c1cc2ccccc2c(-c2c(O)c(-c3cccc(-c4ccccc4)c3O)cc3ccccc23)c1O.
What is the InChIKey of 6-hydroxy-8-(6-hydroxy-6-oxo-4-phenylnaphtho[2,3-d][1,3,2]benzodioxaphosphepin-8-yl)-4-phenylnaphtho[2,3-d][1,3,2]benzodioxaphosphepine 6-oxide;1-[2-hydroxy-3-(2-hydroxy-3-phenylphenyl)naphthalen-1-yl]-3-(2-hydroxy-3-phenylphenyl)naphthalen-2-ol;phosphoryl trichloride;hydrate?
The InChIKey is JYSUMHAURTTXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28O8P2.C44H30O4.Cl3OP.H2O/c45-53(46)49-41-33(27-13-3-1-4-14-27)21-11-23-35(41)37-25-29-17-7-9-19-31(29)39(43(37)51-53)40-32-20-10-8-18-30(32)26-38-36-24-12-22-34(28-15-5-2-6-16-28)42(36)50-54(47,48)52-44(38)40;45-41-33(27-13-3-1-4-14-27)21-11-23-35(41)37-25-29-17-7-9-19-31(29)39(43(37)47)40-32-20-10-8-18-30(32)26-38(44(40)48)36-24-12-22-34(42(36)46)28-15-5-2-6-16-28;1-5(2,3)4;/h1-26H,(H,45,46)(H,47,48);1-26,45-48H;;1H2.
What are the key properties of 6-hydroxy-8-(6-hydroxy-6-oxo-4-phenylnaphtho[2,3-d][1,3,2]benzodioxaphosphepin-8-yl)-4-phenylnaphtho[2,3-d][1,3,2]benzodioxaphosphepine 6-oxide;1-[2-hydroxy-3-(2-hydroxy-3-phenylphenyl)naphthalen-1-yl]-3-(2-hydroxy-3-phenylphenyl)naphthalen-2-ol;phosphoryl trichloride;hydrate?
6-hydroxy-8-(6-hydroxy-6-oxo-4-phenylnaphtho[2,3-d][1,3,2]benzodioxaphosphepin-8-yl)-4-phenylnaphtho[2,3-d][1,3,2]benzodioxaphosphepine 6-oxide;1-[2-hydroxy-3-(2-hydroxy-3-phenylphenyl)naphthalen-1-yl]-3-(2-hydroxy-3-phenylphenyl)naphthalen-2-ol;phosphoryl trichloride;hydrate has a molecular weight of 1540.71 g/mol, XLogP of 25.21, 8 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-8-(6-hydroxy-6-oxo-4-phenylnaphtho[2,3-d][1,3,2]benzodioxaphosphepin-8-yl)-4-phenylnaphtho[2,3-d][1,3,2]benzodioxaphosphepine 6-oxide;1-[2-hydroxy-3-(2-hydroxy-3-phenylphenyl)naphthalen-1-yl]-3-(2-hydroxy-3-phenylphenyl)naphthalen-2-ol;phosphoryl trichloride;hydrate is sourced from PubChem (CID 159270057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).