dicyclohexyl-[1-(2-dicyclohexylphosphanyl-6-methylnaphthalen-1-yl)-6-methylnaphthalen-2-yl]phosphane

C46H60P2 — CID 22439942

IUPACdicyclohexyl-[1-(2-dicyclohexylphosphanyl-6-methylnaphthalen-1-yl)-6-methylnaphthalen-2-yl]phosphane
SMILESCc1ccc2c(-c3c(P(C4CCCCC4)C4CCCCC4)ccc4cc(C)ccc34)c(P(C3CCCCC3)C3CCCCC3)ccc2c1
InChIInChI=1S/C46H60P2/c1-33-23-27-41-35(31-33)25-29-43(47(37-15-7-3-8-16-37)38-17-9-4-10-18-38)45(41)46-42-28-24-34(2)32-36(42)26-30-44(46)48(39-19-11-5-12-20-39)40-21-13-6-14-22-40/h23-32,37-40H,3-22H2,1-2H3
InChIKeyCANKQBIXNVPYQR-UHFFFAOYSA-N
MW674.93 g/mol
LogP13.82
Rot. Bonds7

About dicyclohexyl-[1-(2-dicyclohexylphosphanyl-6-methylnaphthalen-1-yl)-6-methylnaphthalen-2-yl]phosphane

dicyclohexyl-[1-(2-dicyclohexylphosphanyl-6-methylnaphthalen-1-yl)-6-methylnaphthalen-2-yl]phosphane (PubChem CID 22439942) has the molecular formula C46H60P2 and a molecular weight of 674.93 g/mol. Its IUPAC name is dicyclohexyl-[1-(2-dicyclohexylphosphanyl-6-methylnaphthalen-1-yl)-6-methylnaphthalen-2-yl]phosphane.

Molecular Properties

Compound Namedicyclohexyl-[1-(2-dicyclohexylphosphanyl-6-methylnaphthalen-1-yl)-6-methylnaphthalen-2-yl]phosphane
PubChem CID22439942
Molecular FormulaC46H60P2
Molecular Weight674.93 g/mol
Exact Mass674.42
IUPAC Namedicyclohexyl-[1-(2-dicyclohexylphosphanyl-6-methylnaphthalen-1-yl)-6-methylnaphthalen-2-yl]phosphane
SMILESCc1ccc2c(-c3c(P(C4CCCCC4)C4CCCCC4)ccc4cc(C)ccc34)c(P(C3CCCCC3)C3CCCCC3)ccc2c1
InChIInChI=1S/C46H60P2/c1-33-23-27-41-35(31-33)25-29-43(47(37-15-7-3-8-16-37)38-17-9-4-10-18-38)45(41)46-42-28-24-34(2)32-36(42)26-30-44(46)48(39-19-11-5-12-20-39)40-21-13-6-14-22-40/h23-32,37-40H,3-22H2,1-2H3
InChIKeyCANKQBIXNVPYQR-UHFFFAOYSA-N
XLogP13.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.93
LogP ≤ 513.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dicyclohexyl-(2,4-dimethylphenyl)phosphane
CID 118892714
(2-anthracen-9-ylphenyl)-dicyclohexylphosphane
CID 127262691
dicyclohexyl-[1-(2-dicyclohexylphosphanyl-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-yl]phosphane
CID 20606205
2-[1-(2-dicyclohexylphosphanylnaphthalen-1-yl)naphthalen-2-yl]oxyaniline
CID 102495127
dicyclopentyl-[1-(2-trimethylsilyloxynaphthalen-1-yl)naphthalen-2-yl]phosphane
CID 23421226
dicyclohexyl-[2-(2-dicyclohexylphosphanyl-6-methylphenyl)-3-methylphenyl]phosphane;ruthenium(2+);diiodide
CID 23179241
dicyclohexyl-[1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-yl]phosphane
CID 23421218
[2-[2,6-bis(3-methylphenyl)phenyl]phenyl]-dicyclohexylphosphane
CID 141479114
2,7-dimethylphenanthrene;ethane
CID 91503011
2,9-dimethylnaphtho[1,2-b]phenanthrene;3,10-dimethylnaphtho[1,2-b]phenanthrene
CID 164992833
dicyclohexyl-(2-methyl-4-phenylphenyl)phosphane
CID 58500391
dicyclohexyl-[2-(6-dicyclohexylphosphanyl-3-methoxy-2,4-dimethylphenyl)-4-methoxy-3,5-dimethylphenyl]phosphane
CID 11250875

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-[1-(2-dicyclohexylphosphanyl-6-methylnaphthalen-1-yl)-6-methylnaphthalen-2-yl]phosphane?
The IUPAC name of dicyclohexyl-[1-(2-dicyclohexylphosphanyl-6-methylnaphthalen-1-yl)-6-methylnaphthalen-2-yl]phosphane (CID 22439942) is dicyclohexyl-[1-(2-dicyclohexylphosphanyl-6-methylnaphthalen-1-yl)-6-methylnaphthalen-2-yl]phosphane.
What is the SMILES notation for dicyclohexyl-[1-(2-dicyclohexylphosphanyl-6-methylnaphthalen-1-yl)-6-methylnaphthalen-2-yl]phosphane?
The canonical SMILES for dicyclohexyl-[1-(2-dicyclohexylphosphanyl-6-methylnaphthalen-1-yl)-6-methylnaphthalen-2-yl]phosphane is Cc1ccc2c(-c3c(P(C4CCCCC4)C4CCCCC4)ccc4cc(C)ccc34)c(P(C3CCCCC3)C3CCCCC3)ccc2c1.
What is the InChIKey of dicyclohexyl-[1-(2-dicyclohexylphosphanyl-6-methylnaphthalen-1-yl)-6-methylnaphthalen-2-yl]phosphane?
The InChIKey is CANKQBIXNVPYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H60P2/c1-33-23-27-41-35(31-33)25-29-43(47(37-15-7-3-8-16-37)38-17-9-4-10-18-38)45(41)46-42-28-24-34(2)32-36(42)26-30-44(46)48(39-19-11-5-12-20-39)40-21-13-6-14-22-40/h23-32,37-40H,3-22H2,1-2H3.
What are the key properties of dicyclohexyl-[1-(2-dicyclohexylphosphanyl-6-methylnaphthalen-1-yl)-6-methylnaphthalen-2-yl]phosphane?
dicyclohexyl-[1-(2-dicyclohexylphosphanyl-6-methylnaphthalen-1-yl)-6-methylnaphthalen-2-yl]phosphane has a molecular weight of 674.93 g/mol, XLogP of 13.82, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[1-(2-dicyclohexylphosphanyl-6-methylnaphthalen-1-yl)-6-methylnaphthalen-2-yl]phosphane is sourced from PubChem (CID 22439942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).