bis(3,5-dimethylphenyl)-[(2-dinaphthalen-1-ylphosphanylcyclopentyl)methyl]phosphane

C42H42P2 — CID 123942793

IUPACbis(3,5-dimethylphenyl)-[(2-dinaphthalen-1-ylphosphanylcyclopentyl)methyl]phosphane
SMILESCc1cc(C)cc(P(CC2CCCC2P(c2cccc3ccccc23)c2cccc3ccccc23)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C42H42P2/c1-29-22-30(2)25-36(24-29)43(37-26-31(3)23-32(4)27-37)28-35-16-11-19-40(35)44(41-20-9-14-33-12-5-7-17-38(33)41)42-21-10-15-34-13-6-8-18-39(34)42/h5-10,12-15,17-18,20-27,35,40H,11,16,19,28H2,1-4H3
InChIKeyPKZNKLYWQAHWFN-UHFFFAOYSA-N
MW608.75 g/mol
LogP9.96
Rot. Bonds7

About bis(3,5-dimethylphenyl)-[(2-dinaphthalen-1-ylphosphanylcyclopentyl)methyl]phosphane

bis(3,5-dimethylphenyl)-[(2-dinaphthalen-1-ylphosphanylcyclopentyl)methyl]phosphane (PubChem CID 123942793) has the molecular formula C42H42P2 and a molecular weight of 608.75 g/mol. Its IUPAC name is bis(3,5-dimethylphenyl)-[(2-dinaphthalen-1-ylphosphanylcyclopentyl)methyl]phosphane.

Molecular Properties

Compound Namebis(3,5-dimethylphenyl)-[(2-dinaphthalen-1-ylphosphanylcyclopentyl)methyl]phosphane
PubChem CID123942793
Molecular FormulaC42H42P2
Molecular Weight608.75 g/mol
Exact Mass608.28
IUPAC Namebis(3,5-dimethylphenyl)-[(2-dinaphthalen-1-ylphosphanylcyclopentyl)methyl]phosphane
SMILESCc1cc(C)cc(P(CC2CCCC2P(c2cccc3ccccc23)c2cccc3ccccc23)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C42H42P2/c1-29-22-30(2)25-36(24-29)43(37-26-31(3)23-32(4)27-37)28-35-16-11-19-40(35)44(41-20-9-14-33-12-5-7-17-38(33)41)42-21-10-15-34-13-6-8-18-39(34)42/h5-10,12-15,17-18,20-27,35,40H,11,16,19,28H2,1-4H3
InChIKeyPKZNKLYWQAHWFN-UHFFFAOYSA-N
XLogP9.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.75
LogP ≤ 59.96
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 bis(3,5-dimethylphenyl)-[(2-dinaphthalen-1-ylphosphanylcyclopentyl)methyl]phosphane?
The IUPAC name of bis(3,5-dimethylphenyl)-[(2-dinaphthalen-1-ylphosphanylcyclopentyl)methyl]phosphane (CID 123942793) is bis(3,5-dimethylphenyl)-[(2-dinaphthalen-1-ylphosphanylcyclopentyl)methyl]phosphane.
What is the SMILES notation for bis(3,5-dimethylphenyl)-[(2-dinaphthalen-1-ylphosphanylcyclopentyl)methyl]phosphane?
The canonical SMILES for bis(3,5-dimethylphenyl)-[(2-dinaphthalen-1-ylphosphanylcyclopentyl)methyl]phosphane is Cc1cc(C)cc(P(CC2CCCC2P(c2cccc3ccccc23)c2cccc3ccccc23)c2cc(C)cc(C)c2)c1.
What is the InChIKey of bis(3,5-dimethylphenyl)-[(2-dinaphthalen-1-ylphosphanylcyclopentyl)methyl]phosphane?
The InChIKey is PKZNKLYWQAHWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H42P2/c1-29-22-30(2)25-36(24-29)43(37-26-31(3)23-32(4)27-37)28-35-16-11-19-40(35)44(41-20-9-14-33-12-5-7-17-38(33)41)42-21-10-15-34-13-6-8-18-39(34)42/h5-10,12-15,17-18,20-27,35,40H,11,16,19,28H2,1-4H3.
What are the key properties of bis(3,5-dimethylphenyl)-[(2-dinaphthalen-1-ylphosphanylcyclopentyl)methyl]phosphane?
bis(3,5-dimethylphenyl)-[(2-dinaphthalen-1-ylphosphanylcyclopentyl)methyl]phosphane has a molecular weight of 608.75 g/mol, XLogP of 9.96, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-dimethylphenyl)-[(2-dinaphthalen-1-ylphosphanylcyclopentyl)methyl]phosphane is sourced from PubChem (CID 123942793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).