[(2E)-2-[(3-methyldibenzofuran-2-yl)methylidene]-3-methylidene-5-phosphanylpentyl]phosphane

C20H22OP2 — CID 90278670

IUPAC[(2E)-2-[(3-methyldibenzofuran-2-yl)methylidene]-3-methylidene-5-phosphanylpentyl]phosphane
SMILESC=C(CCP)/C(=C\c1cc2c(cc1C)oc1ccccc12)CP
InChIInChI=1S/C20H22OP2/c1-13(7-8-22)16(12-23)10-15-11-18-17-5-3-4-6-19(17)21-20(18)9-14(15)2/h3-6,9-11H,1,7-8,12,22-23H2,2H3/b16-10-
InChIKeyIVGMBJQPPHEVTG-YBEGLDIGSA-N
MW340.34 g/mol
LogP5.97
Rot. Bonds5

About [(2E)-2-[(3-methyldibenzofuran-2-yl)methylidene]-3-methylidene-5-phosphanylpentyl]phosphane

[(2E)-2-[(3-methyldibenzofuran-2-yl)methylidene]-3-methylidene-5-phosphanylpentyl]phosphane (PubChem CID 90278670) has the molecular formula C20H22OP2 and a molecular weight of 340.34 g/mol. Its IUPAC name is [(2E)-2-[(3-methyldibenzofuran-2-yl)methylidene]-3-methylidene-5-phosphanylpentyl]phosphane.

Molecular Properties

Compound Name[(2E)-2-[(3-methyldibenzofuran-2-yl)methylidene]-3-methylidene-5-phosphanylpentyl]phosphane
PubChem CID90278670
Molecular FormulaC20H22OP2
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Name[(2E)-2-[(3-methyldibenzofuran-2-yl)methylidene]-3-methylidene-5-phosphanylpentyl]phosphane
SMILESC=C(CCP)/C(=C\c1cc2c(cc1C)oc1ccccc12)CP
InChIInChI=1S/C20H22OP2/c1-13(7-8-22)16(12-23)10-15-11-18-17-5-3-4-6-19(17)21-20(18)9-14(15)2/h3-6,9-11H,1,7-8,12,22-23H2,2H3/b16-10-
InChIKeyIVGMBJQPPHEVTG-YBEGLDIGSA-N
XLogP5.97
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.34
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122
dibenzofuran;ethanol
CID 174821059
2-prop-1-en-2-yldibenzofuran
CID 142504770
19,20-dimethyl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 154959627
1-[7,8-dimethyl-3-(phenyliminomethyl)dibenzofuran-2-yl]-N-phenylmethanimine
CID 58849536
2-methyldibenzofuran-3-diazonium
CID 86032605
1,2-dimethyl-4-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane
CID 165097703
dibenzofuran;hydrate
CID 70610865
dibenzofuran;hydrofluoride
CID 158307405
9-methyl-27-oxaheptacyclo[16.11.0.02,11.03,8.012,17.020,28.021,26]nonacosa-1(29),2(11),3,5,7,9,12,14,16,18,20(28),21,23,25-tetradecaene
CID 161172312
(2-tert-butyldibenzofuran-3-yl)methanetriol
CID 163858130
dibenzofuran-3-yl-methyl-diphenylgermane
CID 177105256

Frequently Asked Questions

What is the IUPAC name of [(2E)-2-[(3-methyldibenzofuran-2-yl)methylidene]-3-methylidene-5-phosphanylpentyl]phosphane?
The IUPAC name of [(2E)-2-[(3-methyldibenzofuran-2-yl)methylidene]-3-methylidene-5-phosphanylpentyl]phosphane (CID 90278670) is [(2E)-2-[(3-methyldibenzofuran-2-yl)methylidene]-3-methylidene-5-phosphanylpentyl]phosphane.
What is the SMILES notation for [(2E)-2-[(3-methyldibenzofuran-2-yl)methylidene]-3-methylidene-5-phosphanylpentyl]phosphane?
The canonical SMILES for [(2E)-2-[(3-methyldibenzofuran-2-yl)methylidene]-3-methylidene-5-phosphanylpentyl]phosphane is C=C(CCP)/C(=C\c1cc2c(cc1C)oc1ccccc12)CP.
What is the InChIKey of [(2E)-2-[(3-methyldibenzofuran-2-yl)methylidene]-3-methylidene-5-phosphanylpentyl]phosphane?
The InChIKey is IVGMBJQPPHEVTG-YBEGLDIGSA-N. The full InChI is InChI=1S/C20H22OP2/c1-13(7-8-22)16(12-23)10-15-11-18-17-5-3-4-6-19(17)21-20(18)9-14(15)2/h3-6,9-11H,1,7-8,12,22-23H2,2H3/b16-10-.
What are the key properties of [(2E)-2-[(3-methyldibenzofuran-2-yl)methylidene]-3-methylidene-5-phosphanylpentyl]phosphane?
[(2E)-2-[(3-methyldibenzofuran-2-yl)methylidene]-3-methylidene-5-phosphanylpentyl]phosphane has a molecular weight of 340.34 g/mol, XLogP of 5.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2-[(3-methyldibenzofuran-2-yl)methylidene]-3-methylidene-5-phosphanylpentyl]phosphane is sourced from PubChem (CID 90278670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).