(4-benzo[h]quinolin-2-ylphenyl)-diphenyl-selanylidene-λ5-phosphane

C31H22NPSe — CID 165070719

IUPAC(4-benzo[h]quinolin-2-ylphenyl)-diphenyl-selanylidene-λ5-phosphane
SMILES[Se]=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3ccc4ccccc4c3n2)cc1
InChIInChI=1S/C31H22NPSe/c34-33(26-10-3-1-4-11-26,27-12-5-2-6-13-27)28-20-17-24(18-21-28)30-22-19-25-16-15-23-9-7-8-14-29(23)31(25)32-30/h1-22H
InChIKeyMOARFHFKNYLTEM-UHFFFAOYSA-N
MW518.46 g/mol
LogP6.43
Rot. Bonds4

About (4-benzo[h]quinolin-2-ylphenyl)-diphenyl-selanylidene-λ5-phosphane

(4-benzo[h]quinolin-2-ylphenyl)-diphenyl-selanylidene-λ5-phosphane (PubChem CID 165070719) has the molecular formula C31H22NPSe and a molecular weight of 518.46 g/mol. Its IUPAC name is (4-benzo[h]quinolin-2-ylphenyl)-diphenyl-selanylidene-λ5-phosphane.

Molecular Properties

Compound Name(4-benzo[h]quinolin-2-ylphenyl)-diphenyl-selanylidene-λ5-phosphane
PubChem CID165070719
Molecular FormulaC31H22NPSe
Molecular Weight518.46 g/mol
Exact Mass519.07
IUPAC Name(4-benzo[h]quinolin-2-ylphenyl)-diphenyl-selanylidene-λ5-phosphane
SMILES[Se]=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3ccc4ccccc4c3n2)cc1
InChIInChI=1S/C31H22NPSe/c34-33(26-10-3-1-4-11-26,27-12-5-2-6-13-27)28-20-17-24(18-21-28)30-22-19-25-16-15-23-9-7-8-14-29(23)31(25)32-30/h1-22H
InChIKeyMOARFHFKNYLTEM-UHFFFAOYSA-N
XLogP6.43
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.46
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

(4-benzo[h]quinolin-2-ylphenyl)-naphthalen-2-yl-phenyl-selanylidene-λ5-phosphane
CID 164986129
iridium;2-phenylbenzo[h]quinoline
CID 175438986
CID 89063916
CID 89063916
2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[h]quinoline
CID 129265511
9-naphthalen-2-yl-2-[4-(9-naphthalen-2-ylbenzo[h]quinolin-2-yl)phenyl]benzo[h]quinoline
CID 59010374
2-(3-benzo[h]quinolin-2-ylphenyl)benzo[h]quinoline
CID 10741400
2-(4-diphenylphosphorylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline
CID 134470905
(4-acridin-9-ylphenyl)-diphenyl-selanylidene-λ5-phosphane;(4-benzo[h]quinolin-2-ylphenyl)-diphenyl-selanylidene-λ5-phosphane;(4-benzo[h]quinolin-5-ylphenyl)-diphenyl-selanylidene-λ5-phosphane;(4-naphtho[2,1-g]quinolin-7-ylphenyl)-diphenyl-selanylidene-λ5-phosphane;(4-naphtho[1,2-h]quinolin-12-ylphenyl)-diphenyl-selanylidene-λ5-phosphane;(4-naphtho[2,1-h]quinolin-6-ylphenyl)-diphenyl-selanylidene-λ5-phosphane
CID 165070716
2-(10-phenylanthracen-9-yl)benzo[h]quinoline
CID 59629573
2-phenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline
CID 134596708
2-[7-(2-naphthalen-2-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline
CID 155022869
2-(4-benzo[h]quinolin-2-ylphenyl)-9-pyren-1-yl-1,10-phenanthroline
CID 134167553

Frequently Asked Questions

What is the IUPAC name of (4-benzo[h]quinolin-2-ylphenyl)-diphenyl-selanylidene-λ5-phosphane?
The IUPAC name of (4-benzo[h]quinolin-2-ylphenyl)-diphenyl-selanylidene-λ5-phosphane (CID 165070719) is (4-benzo[h]quinolin-2-ylphenyl)-diphenyl-selanylidene-λ5-phosphane.
What is the SMILES notation for (4-benzo[h]quinolin-2-ylphenyl)-diphenyl-selanylidene-λ5-phosphane?
The canonical SMILES for (4-benzo[h]quinolin-2-ylphenyl)-diphenyl-selanylidene-λ5-phosphane is [Se]=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3ccc4ccccc4c3n2)cc1.
What is the InChIKey of (4-benzo[h]quinolin-2-ylphenyl)-diphenyl-selanylidene-λ5-phosphane?
The InChIKey is MOARFHFKNYLTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22NPSe/c34-33(26-10-3-1-4-11-26,27-12-5-2-6-13-27)28-20-17-24(18-21-28)30-22-19-25-16-15-23-9-7-8-14-29(23)31(25)32-30/h1-22H.
What are the key properties of (4-benzo[h]quinolin-2-ylphenyl)-diphenyl-selanylidene-λ5-phosphane?
(4-benzo[h]quinolin-2-ylphenyl)-diphenyl-selanylidene-λ5-phosphane has a molecular weight of 518.46 g/mol, XLogP of 6.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzo[h]quinolin-2-ylphenyl)-diphenyl-selanylidene-λ5-phosphane is sourced from PubChem (CID 165070719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).