bromo-tris(2-methylphenyl)-phenyl-λ5-phosphane

C27H26BrP — CID 139776623

IUPACbromo-tris(2-methylphenyl)-phenyl-λ5-phosphane
SMILESCc1ccccc1P(Br)(c1ccccc1)(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C27H26BrP/c1-21-13-7-10-18-25(21)29(28,24-16-5-4-6-17-24,26-19-11-8-14-22(26)2)27-20-12-9-15-23(27)3/h4-20H,1-3H3
InChIKeyWSQZMMNWYOKQSO-UHFFFAOYSA-N
MW461.38 g/mol
LogP6.08
Rot. Bonds4

About bromo-tris(2-methylphenyl)-phenyl-λ5-phosphane

bromo-tris(2-methylphenyl)-phenyl-λ5-phosphane (PubChem CID 139776623) has the molecular formula C27H26BrP and a molecular weight of 461.38 g/mol. Its IUPAC name is bromo-tris(2-methylphenyl)-phenyl-λ5-phosphane.

Molecular Properties

Compound Namebromo-tris(2-methylphenyl)-phenyl-λ5-phosphane
PubChem CID139776623
Molecular FormulaC27H26BrP
Molecular Weight461.38 g/mol
Exact Mass460.10
IUPAC Namebromo-tris(2-methylphenyl)-phenyl-λ5-phosphane
SMILESCc1ccccc1P(Br)(c1ccccc1)(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C27H26BrP/c1-21-13-7-10-18-25(21)29(28,24-16-5-4-6-17-24,26-19-11-8-14-22(26)2)27-20-12-9-15-23(27)3/h4-20H,1-3H3
InChIKeyWSQZMMNWYOKQSO-UHFFFAOYSA-N
XLogP6.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.38
LogP ≤ 56.08
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

methyl-(2-methylphenyl)-triphenyl-λ5-phosphane
CID 173273216
difluoro-bis(2-methylphenyl)-phenyl-lambda5-phosphane
CID 15182989
CID 174395890
CID 174395890
benzene;1,2-xylene
CID 161464493
dichloro-tris(2-methylphenyl)-λ5-phosphane;palladium
CID 174858130
bromo-methyl-triphenyl-λ5-phosphane;hydrobromide
CID 173269490
dibromo-(4-methylphenyl)-diphenyl-λ5-phosphane
CID 100926580
1,2-xylene
CID 173422016
Tris(2-methylphenyl)tin
CID 6383610
vanadium;1,2-xylene
CID 143581691
1,2-xylene;zirconium
CID 174354618
1,2-xylene;trihydrochloride
CID 70594732

Frequently Asked Questions

What is the IUPAC name of bromo-tris(2-methylphenyl)-phenyl-λ5-phosphane?
The IUPAC name of bromo-tris(2-methylphenyl)-phenyl-λ5-phosphane (CID 139776623) is bromo-tris(2-methylphenyl)-phenyl-λ5-phosphane.
What is the SMILES notation for bromo-tris(2-methylphenyl)-phenyl-λ5-phosphane?
The canonical SMILES for bromo-tris(2-methylphenyl)-phenyl-λ5-phosphane is Cc1ccccc1P(Br)(c1ccccc1)(c1ccccc1C)c1ccccc1C.
What is the InChIKey of bromo-tris(2-methylphenyl)-phenyl-λ5-phosphane?
The InChIKey is WSQZMMNWYOKQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26BrP/c1-21-13-7-10-18-25(21)29(28,24-16-5-4-6-17-24,26-19-11-8-14-22(26)2)27-20-12-9-15-23(27)3/h4-20H,1-3H3.
What are the key properties of bromo-tris(2-methylphenyl)-phenyl-λ5-phosphane?
bromo-tris(2-methylphenyl)-phenyl-λ5-phosphane has a molecular weight of 461.38 g/mol, XLogP of 6.08, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-tris(2-methylphenyl)-phenyl-λ5-phosphane is sourced from PubChem (CID 139776623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).