[1-(3,4-dichloro-2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium

C44H30Cl2P2Ru — CID 87260193

IUPAC[1-(3,4-dichloro-2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium
SMILESClc1c(P(c2ccccc2)c2ccccc2)c(-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)c2ccccc2c1Cl.[Ru]
InChIInChI=1S/C44H30Cl2P2.Ru/c45-42-38-28-16-15-27-37(38)41(44(43(42)46)48(34-22-9-3-10-23-34)35-24-11-4-12-25-35)40-36-26-14-13-17-31(36)29-30-39(40)47(32-18-5-1-6-19-32)33-20-7-2-8-21-33;/h1-30H;
InChIKeyCSQJUYCRKFQCPL-UHFFFAOYSA-N
MW792.65 g/mol
LogP10.48
Rot. Bonds7

About [1-(3,4-dichloro-2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium

[1-(3,4-dichloro-2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium (PubChem CID 87260193) has the molecular formula C44H30Cl2P2Ru and a molecular weight of 792.65 g/mol. Its IUPAC name is [1-(3,4-dichloro-2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium.

Molecular Properties

Compound Name[1-(3,4-dichloro-2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium
PubChem CID87260193
Molecular FormulaC44H30Cl2P2Ru
Molecular Weight792.65 g/mol
Exact Mass792.02
IUPAC Name[1-(3,4-dichloro-2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium
SMILESClc1c(P(c2ccccc2)c2ccccc2)c(-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)c2ccccc2c1Cl.[Ru]
InChIInChI=1S/C44H30Cl2P2.Ru/c45-42-38-28-16-15-27-37(38)41(44(43(42)46)48(34-22-9-3-10-23-34)35-24-11-4-12-25-35)40-36-26-14-13-17-31(36)29-30-39(40)47(32-18-5-1-6-19-32)33-20-7-2-8-21-33;/h1-30H;
InChIKeyCSQJUYCRKFQCPL-UHFFFAOYSA-N
XLogP10.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.65
LogP ≤ 510.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dichloro-2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium?
The IUPAC name of [1-(3,4-dichloro-2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium (CID 87260193) is [1-(3,4-dichloro-2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium.
What is the SMILES notation for [1-(3,4-dichloro-2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium?
The canonical SMILES for [1-(3,4-dichloro-2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium is Clc1c(P(c2ccccc2)c2ccccc2)c(-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)c2ccccc2c1Cl.[Ru].
What is the InChIKey of [1-(3,4-dichloro-2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium?
The InChIKey is CSQJUYCRKFQCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30Cl2P2.Ru/c45-42-38-28-16-15-27-37(38)41(44(43(42)46)48(34-22-9-3-10-23-34)35-24-11-4-12-25-35)40-36-26-14-13-17-31(36)29-30-39(40)47(32-18-5-1-6-19-32)33-20-7-2-8-21-33;/h1-30H;.
What are the key properties of [1-(3,4-dichloro-2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium?
[1-(3,4-dichloro-2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium has a molecular weight of 792.65 g/mol, XLogP of 10.48, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dichloro-2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium is sourced from PubChem (CID 87260193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).