(8-dinaphthalen-2-yloxyphosphanyloxy-9-oxo-10H-anthracen-1-yl) dinaphthalen-2-yl phosphite

C54H36O7P2 — CID 58931783

IUPAC(8-dinaphthalen-2-yloxyphosphanyloxy-9-oxo-10H-anthracen-1-yl) dinaphthalen-2-yl phosphite
SMILESO=C1c2c(cccc2OP(Oc2ccc3ccccc3c2)Oc2ccc3ccccc3c2)Cc2cccc(OP(Oc3ccc4ccccc4c3)Oc3ccc4ccccc4c3)c21
InChIInChI=1S/C54H36O7P2/c55-54-52-44(19-9-21-50(52)60-62(56-46-27-23-36-11-1-5-15-40(36)32-46)57-47-28-24-37-12-2-6-16-41(37)33-47)31-45-20-10-22-51(53(45)54)61-63(58-48-29-25-38-13-3-7-17-42(38)34-48)59-49-30-26-39-14-4-8-18-43(39)35-49/h1-30,32-35H,31H2
InChIKeyCRROWTQHBMWJBI-UHFFFAOYSA-N
MW858.82 g/mol
LogP14.96
Rot. Bonds12

About (8-dinaphthalen-2-yloxyphosphanyloxy-9-oxo-10H-anthracen-1-yl) dinaphthalen-2-yl phosphite

(8-dinaphthalen-2-yloxyphosphanyloxy-9-oxo-10H-anthracen-1-yl) dinaphthalen-2-yl phosphite (PubChem CID 58931783) has the molecular formula C54H36O7P2 and a molecular weight of 858.82 g/mol. Its IUPAC name is (8-dinaphthalen-2-yloxyphosphanyloxy-9-oxo-10H-anthracen-1-yl) dinaphthalen-2-yl phosphite.

Molecular Properties

Compound Name(8-dinaphthalen-2-yloxyphosphanyloxy-9-oxo-10H-anthracen-1-yl) dinaphthalen-2-yl phosphite
PubChem CID58931783
Molecular FormulaC54H36O7P2
Molecular Weight858.82 g/mol
Exact Mass858.19
IUPAC Name(8-dinaphthalen-2-yloxyphosphanyloxy-9-oxo-10H-anthracen-1-yl) dinaphthalen-2-yl phosphite
SMILESO=C1c2c(cccc2OP(Oc2ccc3ccccc3c2)Oc2ccc3ccccc3c2)Cc2cccc(OP(Oc3ccc4ccccc4c3)Oc3ccc4ccccc4c3)c21
InChIInChI=1S/C54H36O7P2/c55-54-52-44(19-9-21-50(52)60-62(56-46-27-23-36-11-1-5-15-40(36)32-46)57-47-28-24-37-12-2-6-16-41(37)33-47)31-45-20-10-22-51(53(45)54)61-63(58-48-29-25-38-13-3-7-17-42(38)34-48)59-49-30-26-39-14-4-8-18-43(39)35-49/h1-30,32-35H,31H2
InChIKeyCRROWTQHBMWJBI-UHFFFAOYSA-N
XLogP14.96
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500858.82
LogP ≤ 514.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (8-dinaphthalen-2-yloxyphosphanyloxy-9-oxo-10H-anthracen-1-yl) dinaphthalen-2-yl phosphite?
The IUPAC name of (8-dinaphthalen-2-yloxyphosphanyloxy-9-oxo-10H-anthracen-1-yl) dinaphthalen-2-yl phosphite (CID 58931783) is (8-dinaphthalen-2-yloxyphosphanyloxy-9-oxo-10H-anthracen-1-yl) dinaphthalen-2-yl phosphite.
What is the SMILES notation for (8-dinaphthalen-2-yloxyphosphanyloxy-9-oxo-10H-anthracen-1-yl) dinaphthalen-2-yl phosphite?
The canonical SMILES for (8-dinaphthalen-2-yloxyphosphanyloxy-9-oxo-10H-anthracen-1-yl) dinaphthalen-2-yl phosphite is O=C1c2c(cccc2OP(Oc2ccc3ccccc3c2)Oc2ccc3ccccc3c2)Cc2cccc(OP(Oc3ccc4ccccc4c3)Oc3ccc4ccccc4c3)c21.
What is the InChIKey of (8-dinaphthalen-2-yloxyphosphanyloxy-9-oxo-10H-anthracen-1-yl) dinaphthalen-2-yl phosphite?
The InChIKey is CRROWTQHBMWJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36O7P2/c55-54-52-44(19-9-21-50(52)60-62(56-46-27-23-36-11-1-5-15-40(36)32-46)57-47-28-24-37-12-2-6-16-41(37)33-47)31-45-20-10-22-51(53(45)54)61-63(58-48-29-25-38-13-3-7-17-42(38)34-48)59-49-30-26-39-14-4-8-18-43(39)35-49/h1-30,32-35H,31H2.
What are the key properties of (8-dinaphthalen-2-yloxyphosphanyloxy-9-oxo-10H-anthracen-1-yl) dinaphthalen-2-yl phosphite?
(8-dinaphthalen-2-yloxyphosphanyloxy-9-oxo-10H-anthracen-1-yl) dinaphthalen-2-yl phosphite has a molecular weight of 858.82 g/mol, XLogP of 14.96, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8-dinaphthalen-2-yloxyphosphanyloxy-9-oxo-10H-anthracen-1-yl) dinaphthalen-2-yl phosphite is sourced from PubChem (CID 58931783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).