3-(4-methoxyphenyl)-2-[1-[2-[[3-(4-methoxyphenyl)-4-oxo-1,3,2-benzoxazaphosphinin-2-yl]oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-1,3,2-benzoxazaphosphinin-4-one

C48H34N2O8P2 — CID 20609444

IUPAC3-(4-methoxyphenyl)-2-[1-[2-[[3-(4-methoxyphenyl)-4-oxo-1,3,2-benzoxazaphosphinin-2-yl]oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-1,3,2-benzoxazaphosphinin-4-one
SMILESCOc1ccc(N2C(=O)c3ccccc3OP2Oc2ccc3ccccc3c2-c2c(OP3Oc4ccccc4C(=O)N3c3ccc(OC)cc3)ccc3ccccc23)cc1
InChIInChI=1S/C48H34N2O8P2/c1-53-35-25-21-33(22-26-35)49-47(51)39-15-7-9-17-41(39)55-59(49)57-43-29-19-31-11-3-5-13-37(31)45(43)46-38-14-6-4-12-32(38)20-30-44(46)58-60-50(34-23-27-36(54-2)28-24-34)48(52)40-16-8-10-18-42(40)56-60/h3-30H,1-2H3
InChIKeyDROCGYKKLHGNDW-UHFFFAOYSA-N
MW828.75 g/mol
LogP12.37
Rot. Bonds9

About 3-(4-methoxyphenyl)-2-[1-[2-[[3-(4-methoxyphenyl)-4-oxo-1,3,2-benzoxazaphosphinin-2-yl]oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-1,3,2-benzoxazaphosphinin-4-one

3-(4-methoxyphenyl)-2-[1-[2-[[3-(4-methoxyphenyl)-4-oxo-1,3,2-benzoxazaphosphinin-2-yl]oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-1,3,2-benzoxazaphosphinin-4-one (PubChem CID 20609444) has the molecular formula C48H34N2O8P2 and a molecular weight of 828.75 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-[1-[2-[[3-(4-methoxyphenyl)-4-oxo-1,3,2-benzoxazaphosphinin-2-yl]oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-1,3,2-benzoxazaphosphinin-4-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-[1-[2-[[3-(4-methoxyphenyl)-4-oxo-1,3,2-benzoxazaphosphinin-2-yl]oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-1,3,2-benzoxazaphosphinin-4-one
PubChem CID20609444
Molecular FormulaC48H34N2O8P2
Molecular Weight828.75 g/mol
Exact Mass828.18
IUPAC Name3-(4-methoxyphenyl)-2-[1-[2-[[3-(4-methoxyphenyl)-4-oxo-1,3,2-benzoxazaphosphinin-2-yl]oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-1,3,2-benzoxazaphosphinin-4-one
SMILESCOc1ccc(N2C(=O)c3ccccc3OP2Oc2ccc3ccccc3c2-c2c(OP3Oc4ccccc4C(=O)N3c3ccc(OC)cc3)ccc3ccccc23)cc1
InChIInChI=1S/C48H34N2O8P2/c1-53-35-25-21-33(22-26-35)49-47(51)39-15-7-9-17-41(39)55-59(49)57-43-29-19-31-11-3-5-13-37(31)45(43)46-38-14-6-4-12-32(38)20-30-44(46)58-60-50(34-23-27-36(54-2)28-24-34)48(52)40-16-8-10-18-42(40)56-60/h3-30H,1-2H3
InChIKeyDROCGYKKLHGNDW-UHFFFAOYSA-N
XLogP12.37
TPSA96.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.75
LogP ≤ 512.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-(4-methoxyphenyl)-2-[1-[2-[[3-(4-methoxyphenyl)-4-oxo-1,3,2-benzoxazaphosphinin-2-yl]oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-1,3,2-benzoxazaphosphinin-4-one with MolForge

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Related Compounds

3-(4-methylphenyl)-2-[1-[2-[[3-(4-methylphenyl)-4-oxo-1,3,2-benzoxazaphosphinin-2-yl]oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-1,3,2-benzoxazaphosphinin-4-one
CID 20609436
2-[1-[2-(4-oxobenzo[g][1,3,2]benzodioxaphosphinin-2-yl)oxynaphthalen-1-yl]naphthalen-2-yl]oxybenzo[g][1,3,2]benzodioxaphosphinin-4-one
CID 142213193
2-[4-(4-methoxyphenyl)phenyl]isoindole-1,3-dione
CID 123891314
6-methoxy-2-naphthalen-2-ylbenzo[de]isoquinoline-1,3-dione
CID 11428149
2-(4-methoxyphenyl)-1-naphthalen-1-ylnaphthalene
CID 10737250
(6aS)-6-(4-methoxyphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
CID 40715931
18-methoxy-12,27-dioxaheptacyclo[26.8.0.02,11.03,8.014,19.020,25.031,36]hexatriaconta-1(28),2(11),3,5,7,9,14(19),15,17,20,22,24,29,31,33,35-hexadecaene-13,26-dione
CID 10436769
2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione
CID 44537911
17-methoxypentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-one
CID 11243834
[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]oxyphosphane
CID 129073654
3-hydroxy-2-(4-methoxyphenyl)-3H-isoindol-1-one
CID 3688143
trimethyl-[1-(2-trimethylsilyloxynaphthalen-1-yl)naphthalen-2-yl]oxysilane
CID 53486788

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-[1-[2-[[3-(4-methoxyphenyl)-4-oxo-1,3,2-benzoxazaphosphinin-2-yl]oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-1,3,2-benzoxazaphosphinin-4-one?
The IUPAC name of 3-(4-methoxyphenyl)-2-[1-[2-[[3-(4-methoxyphenyl)-4-oxo-1,3,2-benzoxazaphosphinin-2-yl]oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-1,3,2-benzoxazaphosphinin-4-one (CID 20609444) is 3-(4-methoxyphenyl)-2-[1-[2-[[3-(4-methoxyphenyl)-4-oxo-1,3,2-benzoxazaphosphinin-2-yl]oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-1,3,2-benzoxazaphosphinin-4-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-[1-[2-[[3-(4-methoxyphenyl)-4-oxo-1,3,2-benzoxazaphosphinin-2-yl]oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-1,3,2-benzoxazaphosphinin-4-one?
The canonical SMILES for 3-(4-methoxyphenyl)-2-[1-[2-[[3-(4-methoxyphenyl)-4-oxo-1,3,2-benzoxazaphosphinin-2-yl]oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-1,3,2-benzoxazaphosphinin-4-one is COc1ccc(N2C(=O)c3ccccc3OP2Oc2ccc3ccccc3c2-c2c(OP3Oc4ccccc4C(=O)N3c3ccc(OC)cc3)ccc3ccccc23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-[1-[2-[[3-(4-methoxyphenyl)-4-oxo-1,3,2-benzoxazaphosphinin-2-yl]oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-1,3,2-benzoxazaphosphinin-4-one?
The InChIKey is DROCGYKKLHGNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2O8P2/c1-53-35-25-21-33(22-26-35)49-47(51)39-15-7-9-17-41(39)55-59(49)57-43-29-19-31-11-3-5-13-37(31)45(43)46-38-14-6-4-12-32(38)20-30-44(46)58-60-50(34-23-27-36(54-2)28-24-34)48(52)40-16-8-10-18-42(40)56-60/h3-30H,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-2-[1-[2-[[3-(4-methoxyphenyl)-4-oxo-1,3,2-benzoxazaphosphinin-2-yl]oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-1,3,2-benzoxazaphosphinin-4-one?
3-(4-methoxyphenyl)-2-[1-[2-[[3-(4-methoxyphenyl)-4-oxo-1,3,2-benzoxazaphosphinin-2-yl]oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-1,3,2-benzoxazaphosphinin-4-one has a molecular weight of 828.75 g/mol, XLogP of 12.37, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-[1-[2-[[3-(4-methoxyphenyl)-4-oxo-1,3,2-benzoxazaphosphinin-2-yl]oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-1,3,2-benzoxazaphosphinin-4-one is sourced from PubChem (CID 20609444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).