(8-dinaphthalen-2-yloxyphosphanyloxy-9,10-dioxoanthracen-1-yl) dinaphthalen-2-yl phosphite

C54H34O8P2 — CID 58931698

IUPAC(8-dinaphthalen-2-yloxyphosphanyloxy-9,10-dioxoanthracen-1-yl) dinaphthalen-2-yl phosphite
SMILESO=C1c2cccc(OP(Oc3ccc4ccccc4c3)Oc3ccc4ccccc4c3)c2C(=O)c2c(OP(Oc3ccc4ccccc4c3)Oc3ccc4ccccc4c3)cccc21
InChIInChI=1S/C54H34O8P2/c55-53-47-19-9-21-49(61-63(57-43-27-23-35-11-1-5-15-39(35)31-43)58-44-28-24-36-12-2-6-16-40(36)32-44)51(47)54(56)52-48(53)20-10-22-50(52)62-64(59-45-29-25-37-13-3-7-17-41(37)33-45)60-46-30-26-38-14-4-8-18-42(38)34-46/h1-34H
InChIKeyHMIDTDLKZFBUQB-UHFFFAOYSA-N
MW872.81 g/mol
LogP14.60
Rot. Bonds12

About (8-dinaphthalen-2-yloxyphosphanyloxy-9,10-dioxoanthracen-1-yl) dinaphthalen-2-yl phosphite

(8-dinaphthalen-2-yloxyphosphanyloxy-9,10-dioxoanthracen-1-yl) dinaphthalen-2-yl phosphite (PubChem CID 58931698) has the molecular formula C54H34O8P2 and a molecular weight of 872.81 g/mol. Its IUPAC name is (8-dinaphthalen-2-yloxyphosphanyloxy-9,10-dioxoanthracen-1-yl) dinaphthalen-2-yl phosphite.

Molecular Properties

Compound Name(8-dinaphthalen-2-yloxyphosphanyloxy-9,10-dioxoanthracen-1-yl) dinaphthalen-2-yl phosphite
PubChem CID58931698
Molecular FormulaC54H34O8P2
Molecular Weight872.81 g/mol
Exact Mass872.17
IUPAC Name(8-dinaphthalen-2-yloxyphosphanyloxy-9,10-dioxoanthracen-1-yl) dinaphthalen-2-yl phosphite
SMILESO=C1c2cccc(OP(Oc3ccc4ccccc4c3)Oc3ccc4ccccc4c3)c2C(=O)c2c(OP(Oc3ccc4ccccc4c3)Oc3ccc4ccccc4c3)cccc21
InChIInChI=1S/C54H34O8P2/c55-53-47-19-9-21-49(61-63(57-43-27-23-35-11-1-5-15-39(35)31-43)58-44-28-24-36-12-2-6-16-40(36)32-44)51(47)54(56)52-48(53)20-10-22-50(52)62-64(59-45-29-25-37-13-3-7-17-41(37)33-45)60-46-30-26-38-14-4-8-18-42(38)34-46/h1-34H
InChIKeyHMIDTDLKZFBUQB-UHFFFAOYSA-N
XLogP14.60
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500872.81
LogP ≤ 514.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(8-dinaphthalen-2-yloxyphosphanyloxy-9-oxo-10H-anthracen-1-yl) dinaphthalen-2-yl phosphite
CID 58931783
[8-bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxy-9,10-dioxoanthracen-1-yl] bis(5-methyl-2-propan-2-ylphenyl) phosphite
CID 58931576
[8-bis(2-formylphenoxy)phosphanyloxy-9,10-dioxoanthracen-1-yl] (2-formylphenyl) (2-methoxyphenyl) phosphite
CID 58931597
[2-(dinaphthalen-1-yloxyphosphanyloxymethyl)phenyl] dinaphthalen-1-yl phosphite;[2-(dinaphthalen-2-yloxyphosphanyloxymethyl)phenyl] dinaphthalen-2-yl phosphite
CID 159631780
2,4-dimethyl-1-propan-2-ylbenzene;[8-[methyl-(5-methyl-2-propan-2-ylphenoxy)phosphanyl]oxy-9,10-dioxoanthracen-1-yl] bis(5-methyl-2-propan-2-ylphenyl) phosphite
CID 142850374
[2-[dinaphthalen-2-yloxyphosphanyloxy(diphenyl)methyl]phenyl] dinaphthalen-2-yl phosphite
CID 58610878
1-hydroxy-8-methoxy-2-(naphthalen-2-ylmethyl)anthracene-9,10-dione
CID 11003757
(2-dinaphthalen-2-yloxyphosphanyloxy-3-methoxyphenyl)methyl dinaphthalen-2-yl phosphite
CID 58610891
1-trimethylsilyloxyanthracene-9,10-dione
CID 14923189
dinaphthalen-1-yl phenyl phosphite
CID 11575113
2,7-dinaphthalen-2-ylfluoren-9-one
CID 59245491
1-(8-chloronaphthalen-1-yl)oxyanthracene-9,10-dione
CID 22759192

Frequently Asked Questions

What is the IUPAC name of (8-dinaphthalen-2-yloxyphosphanyloxy-9,10-dioxoanthracen-1-yl) dinaphthalen-2-yl phosphite?
The IUPAC name of (8-dinaphthalen-2-yloxyphosphanyloxy-9,10-dioxoanthracen-1-yl) dinaphthalen-2-yl phosphite (CID 58931698) is (8-dinaphthalen-2-yloxyphosphanyloxy-9,10-dioxoanthracen-1-yl) dinaphthalen-2-yl phosphite.
What is the SMILES notation for (8-dinaphthalen-2-yloxyphosphanyloxy-9,10-dioxoanthracen-1-yl) dinaphthalen-2-yl phosphite?
The canonical SMILES for (8-dinaphthalen-2-yloxyphosphanyloxy-9,10-dioxoanthracen-1-yl) dinaphthalen-2-yl phosphite is O=C1c2cccc(OP(Oc3ccc4ccccc4c3)Oc3ccc4ccccc4c3)c2C(=O)c2c(OP(Oc3ccc4ccccc4c3)Oc3ccc4ccccc4c3)cccc21.
What is the InChIKey of (8-dinaphthalen-2-yloxyphosphanyloxy-9,10-dioxoanthracen-1-yl) dinaphthalen-2-yl phosphite?
The InChIKey is HMIDTDLKZFBUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34O8P2/c55-53-47-19-9-21-49(61-63(57-43-27-23-35-11-1-5-15-39(35)31-43)58-44-28-24-36-12-2-6-16-40(36)32-44)51(47)54(56)52-48(53)20-10-22-50(52)62-64(59-45-29-25-37-13-3-7-17-41(37)33-45)60-46-30-26-38-14-4-8-18-42(38)34-46/h1-34H.
What are the key properties of (8-dinaphthalen-2-yloxyphosphanyloxy-9,10-dioxoanthracen-1-yl) dinaphthalen-2-yl phosphite?
(8-dinaphthalen-2-yloxyphosphanyloxy-9,10-dioxoanthracen-1-yl) dinaphthalen-2-yl phosphite has a molecular weight of 872.81 g/mol, XLogP of 14.60, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (8-dinaphthalen-2-yloxyphosphanyloxy-9,10-dioxoanthracen-1-yl) dinaphthalen-2-yl phosphite is sourced from PubChem (CID 58931698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).