bis(3,5-dimethylphenyl)-(6-methylnaphthalen-2-yl)phosphane

C27H27P — CID 173041319

IUPACbis(3,5-dimethylphenyl)-(6-methylnaphthalen-2-yl)phosphane
SMILESCc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccc3cc(C)ccc3c2)c1
InChIInChI=1S/C27H27P/c1-18-6-7-24-17-25(9-8-23(24)12-18)28(26-13-19(2)10-20(3)14-26)27-15-21(4)11-22(5)16-27/h6-17H,1-5H3
InChIKeyXAWTUHDLIZGDPE-UHFFFAOYSA-N
MW382.49 g/mol
LogP6.14
Rot. Bonds3

About bis(3,5-dimethylphenyl)-(6-methylnaphthalen-2-yl)phosphane

bis(3,5-dimethylphenyl)-(6-methylnaphthalen-2-yl)phosphane (PubChem CID 173041319) has the molecular formula C27H27P and a molecular weight of 382.49 g/mol. Its IUPAC name is bis(3,5-dimethylphenyl)-(6-methylnaphthalen-2-yl)phosphane.

Molecular Properties

Compound Namebis(3,5-dimethylphenyl)-(6-methylnaphthalen-2-yl)phosphane
PubChem CID173041319
Molecular FormulaC27H27P
Molecular Weight382.49 g/mol
Exact Mass382.19
IUPAC Namebis(3,5-dimethylphenyl)-(6-methylnaphthalen-2-yl)phosphane
SMILESCc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccc3cc(C)ccc3c2)c1
InChIInChI=1S/C27H27P/c1-18-6-7-24-17-25(9-8-23(24)12-18)28(26-13-19(2)10-20(3)14-26)27-15-21(4)11-22(5)16-27/h6-17H,1-5H3
InChIKeyXAWTUHDLIZGDPE-UHFFFAOYSA-N
XLogP6.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.49
LogP ≤ 56.14
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

(3,5-dimethylphenyl)-bis(4-methylphenyl)phosphane
CID 129275176
2,9-dimethylpentacene
CID 11460950
cobalt(2+);bis(tris(4-methylphenyl)phosphane);dichloride
CID 161245317
2,6-dimethylnaphthalene;propane
CID 142191183
2,6-dimethylnaphthalene;2-methylnaphthalene
CID 158480305
ethane;tris(4-methylphenyl)phosphane
CID 145151678
platinum;tris(tris(4-methylphenyl)phosphane)
CID 71361072
benzene;2-methylnaphthalene
CID 159438891
2-methylnaphthalene chloride
CID 21193556
2-methylnaphthalene;dihydrate
CID 174912803
2,3-dichloro-6-methylnaphthalene
CID 21366530
lithium;hydride;2-methylnaphthalene
CID 175090071

Frequently Asked Questions

What is the IUPAC name of bis(3,5-dimethylphenyl)-(6-methylnaphthalen-2-yl)phosphane?
The IUPAC name of bis(3,5-dimethylphenyl)-(6-methylnaphthalen-2-yl)phosphane (CID 173041319) is bis(3,5-dimethylphenyl)-(6-methylnaphthalen-2-yl)phosphane.
What is the SMILES notation for bis(3,5-dimethylphenyl)-(6-methylnaphthalen-2-yl)phosphane?
The canonical SMILES for bis(3,5-dimethylphenyl)-(6-methylnaphthalen-2-yl)phosphane is Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccc3cc(C)ccc3c2)c1.
What is the InChIKey of bis(3,5-dimethylphenyl)-(6-methylnaphthalen-2-yl)phosphane?
The InChIKey is XAWTUHDLIZGDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27P/c1-18-6-7-24-17-25(9-8-23(24)12-18)28(26-13-19(2)10-20(3)14-26)27-15-21(4)11-22(5)16-27/h6-17H,1-5H3.
What are the key properties of bis(3,5-dimethylphenyl)-(6-methylnaphthalen-2-yl)phosphane?
bis(3,5-dimethylphenyl)-(6-methylnaphthalen-2-yl)phosphane has a molecular weight of 382.49 g/mol, XLogP of 6.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-dimethylphenyl)-(6-methylnaphthalen-2-yl)phosphane is sourced from PubChem (CID 173041319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).