[2-[[3-[(2-diphenylphosphanylphenyl)methyl]-2H-imidazol-1-yl]methyl]phenyl]-diphenylphosphane

C41H36N2P2 — CID 71417943

IUPAC[2-[[3-[(2-diphenylphosphanylphenyl)methyl]-2H-imidazol-1-yl]methyl]phenyl]-diphenylphosphane
SMILESC1=CN(Cc2ccccc2P(c2ccccc2)c2ccccc2)CN1Cc1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C41H36N2P2/c1-5-19-36(20-6-1)44(37-21-7-2-8-22-37)40-27-15-13-17-34(40)31-42-29-30-43(33-42)32-35-18-14-16-28-41(35)45(38-23-9-3-10-24-38)39-25-11-4-12-26-39/h1-30H,31-33H2
InChIKeyMKBJWYXGIMZXGT-UHFFFAOYSA-N
MW618.70 g/mol
LogP6.95
Rot. Bonds10

About [2-[[3-[(2-diphenylphosphanylphenyl)methyl]-2H-imidazol-1-yl]methyl]phenyl]-diphenylphosphane

[2-[[3-[(2-diphenylphosphanylphenyl)methyl]-2H-imidazol-1-yl]methyl]phenyl]-diphenylphosphane (PubChem CID 71417943) has the molecular formula C41H36N2P2 and a molecular weight of 618.70 g/mol. Its IUPAC name is [2-[[3-[(2-diphenylphosphanylphenyl)methyl]-2H-imidazol-1-yl]methyl]phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-[[3-[(2-diphenylphosphanylphenyl)methyl]-2H-imidazol-1-yl]methyl]phenyl]-diphenylphosphane
PubChem CID71417943
Molecular FormulaC41H36N2P2
Molecular Weight618.70 g/mol
Exact Mass618.24
IUPAC Name[2-[[3-[(2-diphenylphosphanylphenyl)methyl]-2H-imidazol-1-yl]methyl]phenyl]-diphenylphosphane
SMILESC1=CN(Cc2ccccc2P(c2ccccc2)c2ccccc2)CN1Cc1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C41H36N2P2/c1-5-19-36(20-6-1)44(37-21-7-2-8-22-37)40-27-15-13-17-34(40)31-42-29-30-43(33-42)32-35-18-14-16-28-41(35)45(38-23-9-3-10-24-38)39-25-11-4-12-26-39/h1-30H,31-33H2
InChIKeyMKBJWYXGIMZXGT-UHFFFAOYSA-N
XLogP6.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.70
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[[3-[(2-diphenylphosphanylphenyl)methyl]-2H-imidazol-1-yl]methyl]phenyl]-diphenylphosphane?
The IUPAC name of [2-[[3-[(2-diphenylphosphanylphenyl)methyl]-2H-imidazol-1-yl]methyl]phenyl]-diphenylphosphane (CID 71417943) is [2-[[3-[(2-diphenylphosphanylphenyl)methyl]-2H-imidazol-1-yl]methyl]phenyl]-diphenylphosphane.
What is the SMILES notation for [2-[[3-[(2-diphenylphosphanylphenyl)methyl]-2H-imidazol-1-yl]methyl]phenyl]-diphenylphosphane?
The canonical SMILES for [2-[[3-[(2-diphenylphosphanylphenyl)methyl]-2H-imidazol-1-yl]methyl]phenyl]-diphenylphosphane is C1=CN(Cc2ccccc2P(c2ccccc2)c2ccccc2)CN1Cc1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-[[3-[(2-diphenylphosphanylphenyl)methyl]-2H-imidazol-1-yl]methyl]phenyl]-diphenylphosphane?
The InChIKey is MKBJWYXGIMZXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H36N2P2/c1-5-19-36(20-6-1)44(37-21-7-2-8-22-37)40-27-15-13-17-34(40)31-42-29-30-43(33-42)32-35-18-14-16-28-41(35)45(38-23-9-3-10-24-38)39-25-11-4-12-26-39/h1-30H,31-33H2.
What are the key properties of [2-[[3-[(2-diphenylphosphanylphenyl)methyl]-2H-imidazol-1-yl]methyl]phenyl]-diphenylphosphane?
[2-[[3-[(2-diphenylphosphanylphenyl)methyl]-2H-imidazol-1-yl]methyl]phenyl]-diphenylphosphane has a molecular weight of 618.70 g/mol, XLogP of 6.95, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-[(2-diphenylphosphanylphenyl)methyl]-2H-imidazol-1-yl]methyl]phenyl]-diphenylphosphane is sourced from PubChem (CID 71417943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).