[2-(dinaphthalen-1-yloxyphosphanyloxymethyl)phenyl] dinaphthalen-1-yl phosphite;[2-(dinaphthalen-2-yloxyphosphanyloxymethyl)phenyl] dinaphthalen-2-yl phosphite

C94H68O12P4 — CID 159631780

IUPAC[2-(dinaphthalen-1-yloxyphosphanyloxymethyl)phenyl] dinaphthalen-1-yl phosphite;[2-(dinaphthalen-2-yloxyphosphanyloxymethyl)phenyl] dinaphthalen-2-yl phosphite
SMILESc1ccc(OP(Oc2ccc3ccccc3c2)Oc2ccc3ccccc3c2)c(COP(Oc2ccc3ccccc3c2)Oc2ccc3ccccc3c2)c1.c1ccc(OP(Oc2cccc3ccccc23)Oc2cccc3ccccc23)c(COP(Oc2cccc3ccccc23)Oc2cccc3ccccc23)c1
InChIInChI=1S/2C47H34O6P2/c1-6-24-39-34(15-1)20-11-29-44(39)50-54(51-45-30-12-21-35-16-2-7-25-40(35)45)48-33-38-19-5-10-28-43(38)49-55(52-46-31-13-22-36-17-3-8-26-41(36)46)53-47-32-14-23-37-18-4-9-27-42(37)47;1-5-15-38-29-43(25-21-34(38)11-1)49-54(50-44-26-22-35-12-2-6-16-39(35)30-44)48-33-42-19-9-10-20-47(42)53-55(51-45-27-23-36-13-3-7-17-40(36)31-45)52-46-28-24-37-14-4-8-18-41(37)32-46/h2*1-32H,33H2
InChIKeyMPFILOSPKBYNCT-UHFFFAOYSA-N
MW1513.46 g/mol
LogP27.93
Rot. Bonds26

About [2-(dinaphthalen-1-yloxyphosphanyloxymethyl)phenyl] dinaphthalen-1-yl phosphite;[2-(dinaphthalen-2-yloxyphosphanyloxymethyl)phenyl] dinaphthalen-2-yl phosphite

[2-(dinaphthalen-1-yloxyphosphanyloxymethyl)phenyl] dinaphthalen-1-yl phosphite;[2-(dinaphthalen-2-yloxyphosphanyloxymethyl)phenyl] dinaphthalen-2-yl phosphite (PubChem CID 159631780) has the molecular formula C94H68O12P4 and a molecular weight of 1513.46 g/mol. Its IUPAC name is [2-(dinaphthalen-1-yloxyphosphanyloxymethyl)phenyl] dinaphthalen-1-yl phosphite;[2-(dinaphthalen-2-yloxyphosphanyloxymethyl)phenyl] dinaphthalen-2-yl phosphite.

Molecular Properties

Compound Name[2-(dinaphthalen-1-yloxyphosphanyloxymethyl)phenyl] dinaphthalen-1-yl phosphite;[2-(dinaphthalen-2-yloxyphosphanyloxymethyl)phenyl] dinaphthalen-2-yl phosphite
PubChem CID159631780
Molecular FormulaC94H68O12P4
Molecular Weight1513.46 g/mol
Exact Mass1512.37
IUPAC Name[2-(dinaphthalen-1-yloxyphosphanyloxymethyl)phenyl] dinaphthalen-1-yl phosphite;[2-(dinaphthalen-2-yloxyphosphanyloxymethyl)phenyl] dinaphthalen-2-yl phosphite
SMILESc1ccc(OP(Oc2ccc3ccccc3c2)Oc2ccc3ccccc3c2)c(COP(Oc2ccc3ccccc3c2)Oc2ccc3ccccc3c2)c1.c1ccc(OP(Oc2cccc3ccccc23)Oc2cccc3ccccc23)c(COP(Oc2cccc3ccccc23)Oc2cccc3ccccc23)c1
InChIInChI=1S/2C47H34O6P2/c1-6-24-39-34(15-1)20-11-29-44(39)50-54(51-45-30-12-21-35-16-2-7-25-40(35)45)48-33-38-19-5-10-28-43(38)49-55(52-46-31-13-22-36-17-3-8-26-41(36)46)53-47-32-14-23-37-18-4-9-27-42(37)47;1-5-15-38-29-43(25-21-34(38)11-1)49-54(50-44-26-22-35-12-2-6-16-39(35)30-44)48-33-42-19-9-10-20-47(42)53-55(51-45-27-23-36-13-3-7-17-40(36)31-45)52-46-28-24-37-14-4-8-18-41(37)32-46/h2*1-32H,33H2
InChIKeyMPFILOSPKBYNCT-UHFFFAOYSA-N
XLogP27.93
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds26
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001513.46
LogP ≤ 527.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze [2-(dinaphthalen-1-yloxyphosphanyloxymethyl)phenyl] dinaphthalen-1-yl phosphite;[2-(dinaphthalen-2-yloxyphosphanyloxymethyl)phenyl] dinaphthalen-2-yl phosphite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(dinaphthalen-1-yloxyphosphanyloxymethyl)phenyl] dinaphthalen-1-yl phosphite;[2-(dinaphthalen-2-yloxyphosphanyloxymethyl)phenyl] dinaphthalen-2-yl phosphite?
The IUPAC name of [2-(dinaphthalen-1-yloxyphosphanyloxymethyl)phenyl] dinaphthalen-1-yl phosphite;[2-(dinaphthalen-2-yloxyphosphanyloxymethyl)phenyl] dinaphthalen-2-yl phosphite (CID 159631780) is [2-(dinaphthalen-1-yloxyphosphanyloxymethyl)phenyl] dinaphthalen-1-yl phosphite;[2-(dinaphthalen-2-yloxyphosphanyloxymethyl)phenyl] dinaphthalen-2-yl phosphite.
What is the SMILES notation for [2-(dinaphthalen-1-yloxyphosphanyloxymethyl)phenyl] dinaphthalen-1-yl phosphite;[2-(dinaphthalen-2-yloxyphosphanyloxymethyl)phenyl] dinaphthalen-2-yl phosphite?
The canonical SMILES for [2-(dinaphthalen-1-yloxyphosphanyloxymethyl)phenyl] dinaphthalen-1-yl phosphite;[2-(dinaphthalen-2-yloxyphosphanyloxymethyl)phenyl] dinaphthalen-2-yl phosphite is c1ccc(OP(Oc2ccc3ccccc3c2)Oc2ccc3ccccc3c2)c(COP(Oc2ccc3ccccc3c2)Oc2ccc3ccccc3c2)c1.c1ccc(OP(Oc2cccc3ccccc23)Oc2cccc3ccccc23)c(COP(Oc2cccc3ccccc23)Oc2cccc3ccccc23)c1.
What is the InChIKey of [2-(dinaphthalen-1-yloxyphosphanyloxymethyl)phenyl] dinaphthalen-1-yl phosphite;[2-(dinaphthalen-2-yloxyphosphanyloxymethyl)phenyl] dinaphthalen-2-yl phosphite?
The InChIKey is MPFILOSPKBYNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C47H34O6P2/c1-6-24-39-34(15-1)20-11-29-44(39)50-54(51-45-30-12-21-35-16-2-7-25-40(35)45)48-33-38-19-5-10-28-43(38)49-55(52-46-31-13-22-36-17-3-8-26-41(36)46)53-47-32-14-23-37-18-4-9-27-42(37)47;1-5-15-38-29-43(25-21-34(38)11-1)49-54(50-44-26-22-35-12-2-6-16-39(35)30-44)48-33-42-19-9-10-20-47(42)53-55(51-45-27-23-36-13-3-7-17-40(36)31-45)52-46-28-24-37-14-4-8-18-41(37)32-46/h2*1-32H,33H2.
What are the key properties of [2-(dinaphthalen-1-yloxyphosphanyloxymethyl)phenyl] dinaphthalen-1-yl phosphite;[2-(dinaphthalen-2-yloxyphosphanyloxymethyl)phenyl] dinaphthalen-2-yl phosphite?
[2-(dinaphthalen-1-yloxyphosphanyloxymethyl)phenyl] dinaphthalen-1-yl phosphite;[2-(dinaphthalen-2-yloxyphosphanyloxymethyl)phenyl] dinaphthalen-2-yl phosphite has a molecular weight of 1513.46 g/mol, XLogP of 27.93, 26 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dinaphthalen-1-yloxyphosphanyloxymethyl)phenyl] dinaphthalen-1-yl phosphite;[2-(dinaphthalen-2-yloxyphosphanyloxymethyl)phenyl] dinaphthalen-2-yl phosphite is sourced from PubChem (CID 159631780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).