2-fluorophenol;1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline;platinum

C31H22FN2OPt- — CID 58636204

IUPAC2-fluorophenol;1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline;platinum
SMILESCc1cc(-c2nccc3ccccc23)[c-]c(-c2nccc3ccccc23)c1.Oc1ccccc1F.[Pt]
InChIInChI=1S/C25H17N2.C6H5FO.Pt/c1-17-14-20(24-22-8-4-2-6-18(22)10-12-26-24)16-21(15-17)25-23-9-5-3-7-19(23)11-13-27-25;7-5-3-1-2-4-6(5)8;/h2-15H,1H3;1-4,8H;/q-1;;
InChIKeyATVLZXJKAQMLDQ-UHFFFAOYSA-N
MW652.61 g/mol
LogP7.75
Rot. Bonds2

About 2-fluorophenol;1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline;platinum

2-fluorophenol;1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline;platinum (PubChem CID 58636204) has the molecular formula C31H22FN2OPt- and a molecular weight of 652.61 g/mol. Its IUPAC name is 2-fluorophenol;1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline;platinum.

Molecular Properties

Compound Name2-fluorophenol;1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline;platinum
PubChem CID58636204
Molecular FormulaC31H22FN2OPt-
Molecular Weight652.61 g/mol
Exact Mass652.14
IUPAC Name2-fluorophenol;1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline;platinum
SMILESCc1cc(-c2nccc3ccccc23)[c-]c(-c2nccc3ccccc23)c1.Oc1ccccc1F.[Pt]
InChIInChI=1S/C25H17N2.C6H5FO.Pt/c1-17-14-20(24-22-8-4-2-6-18(22)10-12-26-24)16-21(15-17)25-23-9-5-3-7-19(23)11-13-27-25;7-5-3-1-2-4-6(5)8;/h2-15H,1H3;1-4,8H;/q-1;;
InChIKeyATVLZXJKAQMLDQ-UHFFFAOYSA-N
XLogP7.75
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.61
LogP ≤ 57.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-fluorophenol;1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline;platinum with MolForge

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Related Compounds

4-{4-[2-(2-Isoquinolin-5-yl-1H-indol-3-yl)-ethylamino]-butyl}-phenol
CID 44365485
4-[(Z)-indolo[2,1-a]isoquinolin-7-ium-12-ylidenemethyl]phenol;2,2,2-trifluoroacetate
CID 176423472
4-[(E)-2-isoquinolin-1-ylethenyl]phenol
CID 172442002
3-[(E)-2-isoquinolin-1-ylethenyl]phenol
CID 172457466
2-[(E)-2-isoquinolin-1-ylethenyl]phenol
CID 172461696
4-Hydroxybenzylisochinolin
CID 59715611
2-[(E)-indolo[2,1-a]isoquinolin-7-ium-12-ylidenemethyl]phenol;2,2,2-trifluoroacetate
CID 15395554
Platinum;2-[[3-(6-pyridin-2-yl-2-pyridinyl)-5-[2,4,6-tris(trifluoromethyl)phenyl]benzene-2-id-1-yl]methyl]phenol
CID 58004339
2-[[6-[2,4-Difluoro-5-pyridin-2-yl-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]methyl]phenol;platinum
CID 58004397
2-[[3-[4-Methyl-2,6-bis(trifluoromethyl)phenyl]-5-(6-pyridin-2-yl-2-pyridinyl)benzene-6-id-1-yl]methyl]phenol;platinum
CID 58620926
2-(Indolo[2,1-a]isoquinolin-7-ium-12-ylidenemethyl)phenol;2,2,2-trifluoroacetate
CID 68831923
2-Fluoro-4-[3-methyl-4-(2-phenylethyl)indol-1-yl]phenol
CID 70986827

Frequently Asked Questions

What is the IUPAC name of 2-fluorophenol;1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline;platinum?
The IUPAC name of 2-fluorophenol;1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline;platinum (CID 58636204) is 2-fluorophenol;1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline;platinum.
What is the SMILES notation for 2-fluorophenol;1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline;platinum?
The canonical SMILES for 2-fluorophenol;1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline;platinum is Cc1cc(-c2nccc3ccccc23)[c-]c(-c2nccc3ccccc23)c1.Oc1ccccc1F.[Pt].
What is the InChIKey of 2-fluorophenol;1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline;platinum?
The InChIKey is ATVLZXJKAQMLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N2.C6H5FO.Pt/c1-17-14-20(24-22-8-4-2-6-18(22)10-12-26-24)16-21(15-17)25-23-9-5-3-7-19(23)11-13-27-25;7-5-3-1-2-4-6(5)8;/h2-15H,1H3;1-4,8H;/q-1;;.
What are the key properties of 2-fluorophenol;1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline;platinum?
2-fluorophenol;1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline;platinum has a molecular weight of 652.61 g/mol, XLogP of 7.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorophenol;1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline;platinum is sourced from PubChem (CID 58636204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).