3,4-dimethyl-1-(1H-phenalen-1-yl)-1λ5-phosphole 1-oxide

C19H17OP — CID 155317049

IUPAC3,4-dimethyl-1-(1H-phenalen-1-yl)-1λ5-phosphole 1-oxide
SMILESCC1=CP(=O)(C2C=Cc3cccc4cccc2c34)C=C1C
InChIInChI=1S/C19H17OP/c1-13-11-21(20,12-14(13)2)18-10-9-16-6-3-5-15-7-4-8-17(18)19(15)16/h3-12,18H,1-2H3
InChIKeyQQYICDNCHNWSGT-UHFFFAOYSA-N
MW292.32 g/mol
LogP6.09
Rot. Bonds1

About 3,4-dimethyl-1-(1H-phenalen-1-yl)-1λ5-phosphole 1-oxide

3,4-dimethyl-1-(1H-phenalen-1-yl)-1λ5-phosphole 1-oxide (PubChem CID 155317049) has the molecular formula C19H17OP and a molecular weight of 292.32 g/mol. Its IUPAC name is 3,4-dimethyl-1-(1H-phenalen-1-yl)-1λ5-phosphole 1-oxide.

Molecular Properties

Compound Name3,4-dimethyl-1-(1H-phenalen-1-yl)-1λ5-phosphole 1-oxide
PubChem CID155317049
Molecular FormulaC19H17OP
Molecular Weight292.32 g/mol
Exact Mass292.10
IUPAC Name3,4-dimethyl-1-(1H-phenalen-1-yl)-1λ5-phosphole 1-oxide
SMILESCC1=CP(=O)(C2C=Cc3cccc4cccc2c34)C=C1C
InChIInChI=1S/C19H17OP/c1-13-11-21(20,12-14(13)2)18-10-9-16-6-3-5-15-7-4-8-17(18)19(15)16/h3-12,18H,1-2H3
InChIKeyQQYICDNCHNWSGT-UHFFFAOYSA-N
XLogP6.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.32
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,4-dimethyl-1-(1H-phenalen-1-yl)-1λ5-phosphole 1-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dimethyl-1-(1H-phenalen-1-yl)-2,5-dihydro-1λ5-phosphole 1-oxide
CID 155317031
CID 175041145
CID 175041145
1-chloro-1H-phenalene
CID 118456888
CID 174146075
CID 174146075
N-(1H-phenalen-1-yl)-1H-phenalen-1-amine
CID 23024201
1-pentyl-1H-phenalene
CID 70319795
cyclohexa-2,5-diene-1,4-dione;1H-phenalen-1-ol
CID 175310515
2-(1H-phenalen-1-yl)propanedial
CID 174396888
1-(2-phenylpropyl)-1H-phenalene
CID 175272524
1-(3-fluoro-2-methylphenyl)sulfonyl-1H-phenalene
CID 173256046
3,3-bis(1H-phenalen-1-yl)oxathiirane
CID 174584708
acenaphthylene;ethane
CID 54237459

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-(1H-phenalen-1-yl)-1λ5-phosphole 1-oxide?
The IUPAC name of 3,4-dimethyl-1-(1H-phenalen-1-yl)-1λ5-phosphole 1-oxide (CID 155317049) is 3,4-dimethyl-1-(1H-phenalen-1-yl)-1λ5-phosphole 1-oxide.
What is the SMILES notation for 3,4-dimethyl-1-(1H-phenalen-1-yl)-1λ5-phosphole 1-oxide?
The canonical SMILES for 3,4-dimethyl-1-(1H-phenalen-1-yl)-1λ5-phosphole 1-oxide is CC1=CP(=O)(C2C=Cc3cccc4cccc2c34)C=C1C.
What is the InChIKey of 3,4-dimethyl-1-(1H-phenalen-1-yl)-1λ5-phosphole 1-oxide?
The InChIKey is QQYICDNCHNWSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17OP/c1-13-11-21(20,12-14(13)2)18-10-9-16-6-3-5-15-7-4-8-17(18)19(15)16/h3-12,18H,1-2H3.
What are the key properties of 3,4-dimethyl-1-(1H-phenalen-1-yl)-1λ5-phosphole 1-oxide?
3,4-dimethyl-1-(1H-phenalen-1-yl)-1λ5-phosphole 1-oxide has a molecular weight of 292.32 g/mol, XLogP of 6.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-(1H-phenalen-1-yl)-1λ5-phosphole 1-oxide is sourced from PubChem (CID 155317049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).