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

C44H32O8P2 — CID 71141863

IUPAC8-[(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
SMILESO=P1(O)Oc2c(-c3ccccc3)cccc2-c2cc3c(c(C4=c5ccccc5=C[C@@H]5c6cccc(-c7ccccc7)c6OP(=O)(O)OC45)c2O1)=CCCC=3
InChIInChI=1S/C44H32O8P2/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/h1-7,9,11-26,37,43H,8,10H2,(H,45,46)(H,47,48)/t37-,43?/m1/s1
InChIKeyRTOSABKPNXNDNM-HVJXEPNNSA-N
MW750.68 g/mol
LogP7.57
Rot. Bonds3

About 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

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 (PubChem CID 71141863) has the molecular formula C44H32O8P2 and a molecular weight of 750.68 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-[(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
PubChem CID71141863
Molecular FormulaC44H32O8P2
Molecular Weight750.68 g/mol
Exact Mass750.16
IUPAC Name8-[(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
SMILESO=P1(O)Oc2c(-c3ccccc3)cccc2-c2cc3c(c(C4=c5ccccc5=C[C@@H]5c6cccc(-c7ccccc7)c6OP(=O)(O)OC45)c2O1)=CCCC=3
InChIInChI=1S/C44H32O8P2/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/h1-7,9,11-26,37,43H,8,10H2,(H,45,46)(H,47,48)/t37-,43?/m1/s1
InChIKeyRTOSABKPNXNDNM-HVJXEPNNSA-N
XLogP7.57
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.68
LogP ≤ 57.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=P1(O)Oc2c(-c3ccccc3)cccc2-c2cc3c(c(C4=c5ccccc5=C[C@@H]5c6cccc(-c7ccccc7)c6OP(=O)(O)OC45)c2O1)=CCCC=3.
What is the InChIKey of 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?
The InChIKey is RTOSABKPNXNDNM-HVJXEPNNSA-N. The full InChI is InChI=1S/C44H32O8P2/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/h1-7,9,11-26,37,43H,8,10H2,(H,45,46)(H,47,48)/t37-,43?/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 750.68 g/mol, XLogP of 7.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 71141863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).