[1-(3-methoxynaphthalen-2-yl)-6-propan-2-ylisoquinolin-8-yl]phosphane

C23H22NOP — CID 170239593

IUPAC[1-(3-methoxynaphthalen-2-yl)-6-propan-2-ylisoquinolin-8-yl]phosphane
SMILESCOc1cc2ccccc2cc1-c1nccc2cc(C(C)C)cc(P)c12
InChIInChI=1S/C23H22NOP/c1-14(2)18-10-17-8-9-24-23(22(17)21(26)13-18)19-11-15-6-4-5-7-16(15)12-20(19)25-3/h4-14H,26H2,1-3H3
InChIKeySABYGXXVHCBBNR-UHFFFAOYSA-N
MW359.41 g/mol
LogP5.69
Rot. Bonds3

About [1-(3-methoxynaphthalen-2-yl)-6-propan-2-ylisoquinolin-8-yl]phosphane

[1-(3-methoxynaphthalen-2-yl)-6-propan-2-ylisoquinolin-8-yl]phosphane (PubChem CID 170239593) has the molecular formula C23H22NOP and a molecular weight of 359.41 g/mol. Its IUPAC name is [1-(3-methoxynaphthalen-2-yl)-6-propan-2-ylisoquinolin-8-yl]phosphane.

Molecular Properties

Compound Name[1-(3-methoxynaphthalen-2-yl)-6-propan-2-ylisoquinolin-8-yl]phosphane
PubChem CID170239593
Molecular FormulaC23H22NOP
Molecular Weight359.41 g/mol
Exact Mass359.14
IUPAC Name[1-(3-methoxynaphthalen-2-yl)-6-propan-2-ylisoquinolin-8-yl]phosphane
SMILESCOc1cc2ccccc2cc1-c1nccc2cc(C(C)C)cc(P)c12
InChIInChI=1S/C23H22NOP/c1-14(2)18-10-17-8-9-24-23(22(17)21(26)13-18)19-11-15-6-4-5-7-16(15)12-20(19)25-3/h4-14H,26H2,1-3H3
InChIKeySABYGXXVHCBBNR-UHFFFAOYSA-N
XLogP5.69
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.41
LogP ≤ 55.69
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

Papaverine
CID 4680
Papaverine Hydrochloride
CID 6084
Palmatine
CID 19009
Palmatine Chloride
CID 73442
2,3,9,10-Tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium;chloride;hydrate
CID 16212317
4-(6-Methoxynaphthalen-2-yl)isoquinoline
CID 24754344
3-(6-Methoxynaphthalen-2-yl)-4-methylpyridine
CID 25034430
1-Benzyl-6-methoxy-4-methylquinolinium chloride
CID 2834440
3-{[(1E)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene]methyl}pyridine
CID 6539771
(3-Pyridylmethylene)tetrahydronaphthalene 13b
CID 6539772
4-{[(1E)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene]methyl}pyridine
CID 6539798
(4-Pyridylmethylene)tetrahydronaphthalene 14b
CID 6539799

Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxynaphthalen-2-yl)-6-propan-2-ylisoquinolin-8-yl]phosphane?
The IUPAC name of [1-(3-methoxynaphthalen-2-yl)-6-propan-2-ylisoquinolin-8-yl]phosphane (CID 170239593) is [1-(3-methoxynaphthalen-2-yl)-6-propan-2-ylisoquinolin-8-yl]phosphane.
What is the SMILES notation for [1-(3-methoxynaphthalen-2-yl)-6-propan-2-ylisoquinolin-8-yl]phosphane?
The canonical SMILES for [1-(3-methoxynaphthalen-2-yl)-6-propan-2-ylisoquinolin-8-yl]phosphane is COc1cc2ccccc2cc1-c1nccc2cc(C(C)C)cc(P)c12.
What is the InChIKey of [1-(3-methoxynaphthalen-2-yl)-6-propan-2-ylisoquinolin-8-yl]phosphane?
The InChIKey is SABYGXXVHCBBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22NOP/c1-14(2)18-10-17-8-9-24-23(22(17)21(26)13-18)19-11-15-6-4-5-7-16(15)12-20(19)25-3/h4-14H,26H2,1-3H3.
What are the key properties of [1-(3-methoxynaphthalen-2-yl)-6-propan-2-ylisoquinolin-8-yl]phosphane?
[1-(3-methoxynaphthalen-2-yl)-6-propan-2-ylisoquinolin-8-yl]phosphane has a molecular weight of 359.41 g/mol, XLogP of 5.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxynaphthalen-2-yl)-6-propan-2-ylisoquinolin-8-yl]phosphane is sourced from PubChem (CID 170239593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).