(3-isoquinolin-3-ylphenyl)-tripropylphosphanium

C24H31NP+ — CID 59782045

IUPAC(3-isoquinolin-3-ylphenyl)-tripropylphosphanium
SMILESCCC[P+](CCC)(CCC)c1cccc(-c2cc3ccccc3cn2)c1
InChIInChI=1S/C24H31NP/c1-4-14-26(15-5-2,16-6-3)23-13-9-12-21(17-23)24-18-20-10-7-8-11-22(20)19-25-24/h7-13,17-19H,4-6,14-16H2,1-3H3/q+1
InChIKeyQZEQEXXLEPUZPC-UHFFFAOYSA-N
MW364.49 g/mol
LogP6.77
Rot. Bonds8

About (3-isoquinolin-3-ylphenyl)-tripropylphosphanium

(3-isoquinolin-3-ylphenyl)-tripropylphosphanium (PubChem CID 59782045) has the molecular formula C24H31NP+ and a molecular weight of 364.49 g/mol. Its IUPAC name is (3-isoquinolin-3-ylphenyl)-tripropylphosphanium.

Molecular Properties

Compound Name(3-isoquinolin-3-ylphenyl)-tripropylphosphanium
PubChem CID59782045
Molecular FormulaC24H31NP+
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name(3-isoquinolin-3-ylphenyl)-tripropylphosphanium
SMILESCCC[P+](CCC)(CCC)c1cccc(-c2cc3ccccc3cn2)c1
InChIInChI=1S/C24H31NP/c1-4-14-26(15-5-2,16-6-3)23-13-9-12-21(17-23)24-18-20-10-7-8-11-22(20)19-25-24/h7-13,17-19H,4-6,14-16H2,1-3H3/q+1
InChIKeyQZEQEXXLEPUZPC-UHFFFAOYSA-N
XLogP6.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[4-(2-methylpropyl)phenyl]phenyl]isoquinoline
CID 170539197
3-azulen-2-ylisoquinoline
CID 139326489
N,N-bis(3-isoquinolin-3-ylphenyl)pyridin-4-amine
CID 164822371
3-[3-(2-phenylpropan-2-yl)phenyl]isoquinoline
CID 162707825
3-[3-[4-[3-(3,5-diphenylphenyl)-5-phenylphenyl]-6-[3-phenyl-5-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]isoquinoline
CID 140786256
3-[3-[4,6-bis(3,5-diphenylphenyl)pyrimidin-2-yl]phenyl]isoquinoline
CID 140786223
3-[3-(4,6-ditert-butylpyrimidin-2-yl)phenyl]isoquinoline
CID 118642270
3-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]isoquinoline
CID 129133243
3-[3-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]isoquinoline
CID 140786454
3-(5-methyl-2-pyridinyl)isoquinoline
CID 58382619
3-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]isoquinoline
CID 118543537
3-[4-[2,6-bis(3-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline
CID 122427585

Frequently Asked Questions

What is the IUPAC name of (3-isoquinolin-3-ylphenyl)-tripropylphosphanium?
The IUPAC name of (3-isoquinolin-3-ylphenyl)-tripropylphosphanium (CID 59782045) is (3-isoquinolin-3-ylphenyl)-tripropylphosphanium.
What is the SMILES notation for (3-isoquinolin-3-ylphenyl)-tripropylphosphanium?
The canonical SMILES for (3-isoquinolin-3-ylphenyl)-tripropylphosphanium is CCC[P+](CCC)(CCC)c1cccc(-c2cc3ccccc3cn2)c1.
What is the InChIKey of (3-isoquinolin-3-ylphenyl)-tripropylphosphanium?
The InChIKey is QZEQEXXLEPUZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NP/c1-4-14-26(15-5-2,16-6-3)23-13-9-12-21(17-23)24-18-20-10-7-8-11-22(20)19-25-24/h7-13,17-19H,4-6,14-16H2,1-3H3/q+1.
What are the key properties of (3-isoquinolin-3-ylphenyl)-tripropylphosphanium?
(3-isoquinolin-3-ylphenyl)-tripropylphosphanium has a molecular weight of 364.49 g/mol, XLogP of 6.77, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-isoquinolin-3-ylphenyl)-tripropylphosphanium is sourced from PubChem (CID 59782045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).