[2-[bis(2-methylphenyl)-phosphanylmethyl]phenyl]methyl-ditert-butylphosphane

C30H40P2 — CID 87241716

IUPAC[2-[bis(2-methylphenyl)-phosphanylmethyl]phenyl]methyl-ditert-butylphosphane
SMILESCc1ccccc1C(P)(c1ccccc1C)c1ccccc1CP(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C30H40P2/c1-22-15-9-12-18-25(22)30(31,26-19-13-10-16-23(26)2)27-20-14-11-17-24(27)21-32(28(3,4)5)29(6,7)8/h9-20H,21,31H2,1-8H3
InChIKeyUZKREQCMIWWSFY-UHFFFAOYSA-N
MW462.60 g/mol
LogP9.05
Rot. Bonds5

About [2-[bis(2-methylphenyl)-phosphanylmethyl]phenyl]methyl-ditert-butylphosphane

[2-[bis(2-methylphenyl)-phosphanylmethyl]phenyl]methyl-ditert-butylphosphane (PubChem CID 87241716) has the molecular formula C30H40P2 and a molecular weight of 462.60 g/mol. Its IUPAC name is [2-[bis(2-methylphenyl)-phosphanylmethyl]phenyl]methyl-ditert-butylphosphane.

Molecular Properties

Compound Name[2-[bis(2-methylphenyl)-phosphanylmethyl]phenyl]methyl-ditert-butylphosphane
PubChem CID87241716
Molecular FormulaC30H40P2
Molecular Weight462.60 g/mol
Exact Mass462.26
IUPAC Name[2-[bis(2-methylphenyl)-phosphanylmethyl]phenyl]methyl-ditert-butylphosphane
SMILESCc1ccccc1C(P)(c1ccccc1C)c1ccccc1CP(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C30H40P2/c1-22-15-9-12-18-25(22)30(31,26-19-13-10-16-23(26)2)27-20-14-11-17-24(27)21-32(28(3,4)5)29(6,7)8/h9-20H,21,31H2,1-8H3
InChIKeyUZKREQCMIWWSFY-UHFFFAOYSA-N
XLogP9.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.60
LogP ≤ 59.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[bis(2-methylphenyl)-phosphanylmethyl]phenyl]methyl-ditert-butylphosphane?
The IUPAC name of [2-[bis(2-methylphenyl)-phosphanylmethyl]phenyl]methyl-ditert-butylphosphane (CID 87241716) is [2-[bis(2-methylphenyl)-phosphanylmethyl]phenyl]methyl-ditert-butylphosphane.
What is the SMILES notation for [2-[bis(2-methylphenyl)-phosphanylmethyl]phenyl]methyl-ditert-butylphosphane?
The canonical SMILES for [2-[bis(2-methylphenyl)-phosphanylmethyl]phenyl]methyl-ditert-butylphosphane is Cc1ccccc1C(P)(c1ccccc1C)c1ccccc1CP(C(C)(C)C)C(C)(C)C.
What is the InChIKey of [2-[bis(2-methylphenyl)-phosphanylmethyl]phenyl]methyl-ditert-butylphosphane?
The InChIKey is UZKREQCMIWWSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40P2/c1-22-15-9-12-18-25(22)30(31,26-19-13-10-16-23(26)2)27-20-14-11-17-24(27)21-32(28(3,4)5)29(6,7)8/h9-20H,21,31H2,1-8H3.
What are the key properties of [2-[bis(2-methylphenyl)-phosphanylmethyl]phenyl]methyl-ditert-butylphosphane?
[2-[bis(2-methylphenyl)-phosphanylmethyl]phenyl]methyl-ditert-butylphosphane has a molecular weight of 462.60 g/mol, XLogP of 9.05, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(2-methylphenyl)-phosphanylmethyl]phenyl]methyl-ditert-butylphosphane is sourced from PubChem (CID 87241716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).