dibenzofuran-4-yl-methyl-phenyl-(2,4,6-trimethylphenyl)imino-λ5-phosphane

C28H26NOP — CID 139136093

IUPACdibenzofuran-4-yl-methyl-phenyl-(2,4,6-trimethylphenyl)imino-λ5-phosphane
SMILESCc1cc(C)c(N=[P@@](C)(c2ccccc2)c2cccc3c2oc2ccccc23)c(C)c1
InChIInChI=1S/C28H26NOP/c1-19-17-20(2)27(21(3)18-19)29-31(4,22-11-6-5-7-12-22)26-16-10-14-24-23-13-8-9-15-25(23)30-28(24)26/h5-18H,1-4H3/t31-/m0/s1
InChIKeyYAZHKXRFIGFNQO-HKBQPEDESA-N
MW423.50 g/mol
LogP7.62
Rot. Bonds3

About dibenzofuran-4-yl-methyl-phenyl-(2,4,6-trimethylphenyl)imino-λ5-phosphane

dibenzofuran-4-yl-methyl-phenyl-(2,4,6-trimethylphenyl)imino-λ5-phosphane (PubChem CID 139136093) has the molecular formula C28H26NOP and a molecular weight of 423.50 g/mol. Its IUPAC name is dibenzofuran-4-yl-methyl-phenyl-(2,4,6-trimethylphenyl)imino-λ5-phosphane.

Molecular Properties

Compound Namedibenzofuran-4-yl-methyl-phenyl-(2,4,6-trimethylphenyl)imino-λ5-phosphane
PubChem CID139136093
Molecular FormulaC28H26NOP
Molecular Weight423.50 g/mol
Exact Mass423.18
IUPAC Namedibenzofuran-4-yl-methyl-phenyl-(2,4,6-trimethylphenyl)imino-λ5-phosphane
SMILESCc1cc(C)c(N=[P@@](C)(c2ccccc2)c2cccc3c2oc2ccccc23)c(C)c1
InChIInChI=1S/C28H26NOP/c1-19-17-20(2)27(21(3)18-19)29-31(4,22-11-6-5-7-12-22)26-16-10-14-24-23-13-8-9-15-25(23)30-28(24)26/h5-18H,1-4H3/t31-/m0/s1
InChIKeyYAZHKXRFIGFNQO-HKBQPEDESA-N
XLogP7.62
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.50
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2,6-di(propan-2-yl)phenyl]imino-[6-[[2,6-di(propan-2-yl)phenyl]imino-methyl-phenyl-λ5-phosphanyl]dibenzofuran-4-yl]-methyl-phenyl-λ5-phosphane
CID 139157975
N-[9,9-bis(2,4,6-trimethylphenyl)fluoren-4-yl]dibenzofuran-4-amine
CID 177114189
4-[10-(3-dimethylphosphorylphenyl)anthracen-9-yl]dibenzofuran
CID 129164010
4-[3-(4-methylphenyl)-5-phenylphenyl]dibenzofuran
CID 70812680
1-methyldibenzofuran;2-methyldibenzofuran;4-methyldibenzofuran
CID 158243493
4-[1-(2-methylphenyl)ethenyl]dibenzofuran
CID 144645412
2-methyldibenzofuran-4-carboxylic acid
CID 167268287
2-(4-dibenzofuran-4-yl-2,5-dimethylphenyl)-1-phenylbenzimidazole
CID 58309657
11-methyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene
CID 123841957
4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964725
1-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4-methyldibenzofuran
CID 153447877
1-dibenzofuran-4-yl-4-(1-methyldibenzofuran-4-yl)dibenzofuran
CID 153447937

Frequently Asked Questions

What is the IUPAC name of dibenzofuran-4-yl-methyl-phenyl-(2,4,6-trimethylphenyl)imino-λ5-phosphane?
The IUPAC name of dibenzofuran-4-yl-methyl-phenyl-(2,4,6-trimethylphenyl)imino-λ5-phosphane (CID 139136093) is dibenzofuran-4-yl-methyl-phenyl-(2,4,6-trimethylphenyl)imino-λ5-phosphane.
What is the SMILES notation for dibenzofuran-4-yl-methyl-phenyl-(2,4,6-trimethylphenyl)imino-λ5-phosphane?
The canonical SMILES for dibenzofuran-4-yl-methyl-phenyl-(2,4,6-trimethylphenyl)imino-λ5-phosphane is Cc1cc(C)c(N=[P@@](C)(c2ccccc2)c2cccc3c2oc2ccccc23)c(C)c1.
What is the InChIKey of dibenzofuran-4-yl-methyl-phenyl-(2,4,6-trimethylphenyl)imino-λ5-phosphane?
The InChIKey is YAZHKXRFIGFNQO-HKBQPEDESA-N. The full InChI is InChI=1S/C28H26NOP/c1-19-17-20(2)27(21(3)18-19)29-31(4,22-11-6-5-7-12-22)26-16-10-14-24-23-13-8-9-15-25(23)30-28(24)26/h5-18H,1-4H3/t31-/m0/s1.
What are the key properties of dibenzofuran-4-yl-methyl-phenyl-(2,4,6-trimethylphenyl)imino-λ5-phosphane?
dibenzofuran-4-yl-methyl-phenyl-(2,4,6-trimethylphenyl)imino-λ5-phosphane has a molecular weight of 423.50 g/mol, XLogP of 7.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran-4-yl-methyl-phenyl-(2,4,6-trimethylphenyl)imino-λ5-phosphane is sourced from PubChem (CID 139136093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).