3-diphenylphosphanyl-1-(3-diphenylphosphanyl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol

C44H32O2P2 — CID 52912463

IUPAC3-diphenylphosphanyl-1-(3-diphenylphosphanyl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol
SMILESOc1c(P(c2ccccc2)c2ccccc2)cc2ccccc2c1-c1c(O)c(P(c2ccccc2)c2ccccc2)cc2ccccc12
InChIInChI=1S/C44H32O2P2/c45-43-39(47(33-19-5-1-6-20-33)34-21-7-2-8-22-34)29-31-17-13-15-27-37(31)41(43)42-38-28-16-14-18-32(38)30-40(44(42)46)48(35-23-9-3-10-24-35)36-25-11-4-12-26-36/h1-30,45-46H
InChIKeyDEKIKEOGVIPNPK-UHFFFAOYSA-N
MW654.69 g/mol
LogP8.59
Rot. Bonds7

About 3-diphenylphosphanyl-1-(3-diphenylphosphanyl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol

3-diphenylphosphanyl-1-(3-diphenylphosphanyl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol (PubChem CID 52912463) has the molecular formula C44H32O2P2 and a molecular weight of 654.69 g/mol. Its IUPAC name is 3-diphenylphosphanyl-1-(3-diphenylphosphanyl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol.

Molecular Properties

Compound Name3-diphenylphosphanyl-1-(3-diphenylphosphanyl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol
PubChem CID52912463
Molecular FormulaC44H32O2P2
Molecular Weight654.69 g/mol
Exact Mass654.19
IUPAC Name3-diphenylphosphanyl-1-(3-diphenylphosphanyl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol
SMILESOc1c(P(c2ccccc2)c2ccccc2)cc2ccccc2c1-c1c(O)c(P(c2ccccc2)c2ccccc2)cc2ccccc12
InChIInChI=1S/C44H32O2P2/c45-43-39(47(33-19-5-1-6-20-33)34-21-7-2-8-22-34)29-31-17-13-15-27-37(31)41(43)42-38-28-16-14-18-32(38)30-40(44(42)46)48(35-23-9-3-10-24-35)36-25-11-4-12-26-36/h1-30,45-46H
InChIKeyDEKIKEOGVIPNPK-UHFFFAOYSA-N
XLogP8.59
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.69
LogP ≤ 58.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-diphenylphosphanyl-1-(3-diphenylphosphanyl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
The IUPAC name of 3-diphenylphosphanyl-1-(3-diphenylphosphanyl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol (CID 52912463) is 3-diphenylphosphanyl-1-(3-diphenylphosphanyl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol.
What is the SMILES notation for 3-diphenylphosphanyl-1-(3-diphenylphosphanyl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
The canonical SMILES for 3-diphenylphosphanyl-1-(3-diphenylphosphanyl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol is Oc1c(P(c2ccccc2)c2ccccc2)cc2ccccc2c1-c1c(O)c(P(c2ccccc2)c2ccccc2)cc2ccccc12.
What is the InChIKey of 3-diphenylphosphanyl-1-(3-diphenylphosphanyl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
The InChIKey is DEKIKEOGVIPNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32O2P2/c45-43-39(47(33-19-5-1-6-20-33)34-21-7-2-8-22-34)29-31-17-13-15-27-37(31)41(43)42-38-28-16-14-18-32(38)30-40(44(42)46)48(35-23-9-3-10-24-35)36-25-11-4-12-26-36/h1-30,45-46H.
What are the key properties of 3-diphenylphosphanyl-1-(3-diphenylphosphanyl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
3-diphenylphosphanyl-1-(3-diphenylphosphanyl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol has a molecular weight of 654.69 g/mol, XLogP of 8.59, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diphenylphosphanyl-1-(3-diphenylphosphanyl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol is sourced from PubChem (CID 52912463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).