6-hydroxy-4,8-diphenylbenzo[d][1,3,2]benzodioxaphosphepine 6-oxide

C24H17O4P — CID 25138423

IUPAC6-hydroxy-4,8-diphenylbenzo[d][1,3,2]benzodioxaphosphepine 6-oxide
SMILESO=P1(O)Oc2c(-c3ccccc3)cccc2-c2cccc(-c3ccccc3)c2O1
InChIInChI=1S/C24H17O4P/c25-29(26)27-23-19(17-9-3-1-4-10-17)13-7-15-21(23)22-16-8-14-20(24(22)28-29)18-11-5-2-6-12-18/h1-16H,(H,25,26)
InChIKeyLMJUHFDILYTWSK-UHFFFAOYSA-N
MW400.37 g/mol
LogP6.56
Rot. Bonds2

About 6-hydroxy-4,8-diphenylbenzo[d][1,3,2]benzodioxaphosphepine 6-oxide

6-hydroxy-4,8-diphenylbenzo[d][1,3,2]benzodioxaphosphepine 6-oxide (PubChem CID 25138423) has the molecular formula C24H17O4P and a molecular weight of 400.37 g/mol. Its IUPAC name is 6-hydroxy-4,8-diphenylbenzo[d][1,3,2]benzodioxaphosphepine 6-oxide.

Molecular Properties

Compound Name6-hydroxy-4,8-diphenylbenzo[d][1,3,2]benzodioxaphosphepine 6-oxide
PubChem CID25138423
Molecular FormulaC24H17O4P
Molecular Weight400.37 g/mol
Exact Mass400.09
IUPAC Name6-hydroxy-4,8-diphenylbenzo[d][1,3,2]benzodioxaphosphepine 6-oxide
SMILESO=P1(O)Oc2c(-c3ccccc3)cccc2-c2cccc(-c3ccccc3)c2O1
InChIInChI=1S/C24H17O4P/c25-29(26)27-23-19(17-9-3-1-4-10-17)13-7-15-21(23)22-16-8-14-20(24(22)28-29)18-11-5-2-6-12-18/h1-16H,(H,25,26)
InChIKeyLMJUHFDILYTWSK-UHFFFAOYSA-N
XLogP6.56
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.37
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
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
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
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
8-[(13aR)-6-hydroxy-6-oxo-4-phenyl-7a,13a-dihydronaphtho[2,3-d][1,3,2]benzodioxaphosphepin-8-yl]-6-hydroxy-4-phenyl-10,11-dihydronaphtho[2,3-d][1,3,2]benzodioxaphosphepine 6-oxide
CID 71141863
12-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 129229617
6-phenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide
CID 177415042
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
3-methylidene-7-phenyl-1-benzofuran
CID 162362865
methane;1-phenyl-2-(2-phenylphenyl)benzene
CID 144789864
10,12-bis(2-methylphenyl)-6,16-diphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene 1-oxide
CID 118219928

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4,8-diphenylbenzo[d][1,3,2]benzodioxaphosphepine 6-oxide?
The IUPAC name of 6-hydroxy-4,8-diphenylbenzo[d][1,3,2]benzodioxaphosphepine 6-oxide (CID 25138423) is 6-hydroxy-4,8-diphenylbenzo[d][1,3,2]benzodioxaphosphepine 6-oxide.
What is the SMILES notation for 6-hydroxy-4,8-diphenylbenzo[d][1,3,2]benzodioxaphosphepine 6-oxide?
The canonical SMILES for 6-hydroxy-4,8-diphenylbenzo[d][1,3,2]benzodioxaphosphepine 6-oxide is O=P1(O)Oc2c(-c3ccccc3)cccc2-c2cccc(-c3ccccc3)c2O1.
What is the InChIKey of 6-hydroxy-4,8-diphenylbenzo[d][1,3,2]benzodioxaphosphepine 6-oxide?
The InChIKey is LMJUHFDILYTWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17O4P/c25-29(26)27-23-19(17-9-3-1-4-10-17)13-7-15-21(23)22-16-8-14-20(24(22)28-29)18-11-5-2-6-12-18/h1-16H,(H,25,26).
What are the key properties of 6-hydroxy-4,8-diphenylbenzo[d][1,3,2]benzodioxaphosphepine 6-oxide?
6-hydroxy-4,8-diphenylbenzo[d][1,3,2]benzodioxaphosphepine 6-oxide has a molecular weight of 400.37 g/mol, XLogP of 6.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4,8-diphenylbenzo[d][1,3,2]benzodioxaphosphepine 6-oxide is sourced from PubChem (CID 25138423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).