3-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]isoquinoline;platinum(2+)

C34H26N2OPt — CID 153428777

IUPAC3-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]isoquinoline;platinum(2+)
SMILESCC(C)(C)c1ccnc(-c2[c-]c(Oc3[c-]c(-c4cc5ccccc5cn4)ccc3)c3ccccc3c2)c1.[Pt+2]
InChIInChI=1S/C34H26N2O.Pt/c1-34(2,3)28-15-16-35-32(21-28)27-17-24-10-6-7-14-30(24)33(20-27)37-29-13-8-12-25(18-29)31-19-23-9-4-5-11-26(23)22-36-31;/h4-17,19,21-22H,1-3H3;/q-2;+2
InChIKeyMEOPJNKFDJCPOR-UHFFFAOYSA-N
MW673.67 g/mol
LogP8.80
Rot. Bonds4

About 3-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]isoquinoline;platinum(2+)

3-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]isoquinoline;platinum(2+) (PubChem CID 153428777) has the molecular formula C34H26N2OPt and a molecular weight of 673.67 g/mol. Its IUPAC name is 3-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]isoquinoline;platinum(2+).

Molecular Properties

Compound Name3-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]isoquinoline;platinum(2+)
PubChem CID153428777
Molecular FormulaC34H26N2OPt
Molecular Weight673.67 g/mol
Exact Mass673.17
IUPAC Name3-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]isoquinoline;platinum(2+)
SMILESCC(C)(C)c1ccnc(-c2[c-]c(Oc3[c-]c(-c4cc5ccccc5cn4)ccc3)c3ccccc3c2)c1.[Pt+2]
InChIInChI=1S/C34H26N2O.Pt/c1-34(2,3)28-15-16-35-32(21-28)27-17-24-10-6-7-14-30(24)33(20-27)37-29-13-8-12-25(18-29)31-19-23-9-4-5-11-26(23)22-36-31;/h4-17,19,21-22H,1-3H3;/q-2;+2
InChIKeyMEOPJNKFDJCPOR-UHFFFAOYSA-N
XLogP8.80
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.67
LogP ≤ 58.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1'-[4-(1-pyridin-4-ylindol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 9980526
1''-[4-(1-methyl-1H-3-indolyl)butyl]spiro[1,3-dihydroisobenzofuran-1,4''-(hexahydropyridine)]
CID 10362072
1'-[4-[1-(4-Fluorophenyl)indol-3-yl]butyl]spiro[1,3-dihydroisochromene-4,4'-piperidine]
CID 11754399
1'-[4-[1-(4-Fluorophenyl)indol-3-yl]butyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]
CID 10050311
1'-[4-[1-(4-Fluorophenyl)indol-3-yl]butyl]spiro[1,4-dihydroisochromene-3,4'-piperidine]
CID 10322401
1'-[(3-pyridin-2-ylphenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 44561300
1'-(4-indol-1-ylbutyl)spiro[1H-2-benzofuran-3,4'-piperidine]
CID 171343519
[7-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxy-3H-naphthalen-3-id-2-yl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]selenopheno[2,3-c]pyridin-4-yl]-trimethylgermane;platinum(2+)
CID 168129906
iron(2+);(1S)-1-phenylethanolate;(4R)-4-phenyl-2-[(Z)-[(3Z)-3-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-2-id-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole;bis(pyridine)
CID 139124013
4-Tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;oxolane;platinum(2+);diphenoxide
CID 139135668
Chloropalladium(1+);3-[4-(3,5-ditert-butylphenyl)-6-(3-methoxybenzene-6-id-1-yl)-2-pyridinyl]isoquinoline
CID 139262831
1'-[4-(1-Pyridin-3-ylindol-3-yl)butyl]spiro[1,3-dihydroisochromene-4,4'-piperidine]
CID 19354242

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]isoquinoline;platinum(2+)?
The IUPAC name of 3-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]isoquinoline;platinum(2+) (CID 153428777) is 3-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]isoquinoline;platinum(2+).
What is the SMILES notation for 3-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]isoquinoline;platinum(2+)?
The canonical SMILES for 3-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]isoquinoline;platinum(2+) is CC(C)(C)c1ccnc(-c2[c-]c(Oc3[c-]c(-c4cc5ccccc5cn4)ccc3)c3ccccc3c2)c1.[Pt+2].
What is the InChIKey of 3-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]isoquinoline;platinum(2+)?
The InChIKey is MEOPJNKFDJCPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N2O.Pt/c1-34(2,3)28-15-16-35-32(21-28)27-17-24-10-6-7-14-30(24)33(20-27)37-29-13-8-12-25(18-29)31-19-23-9-4-5-11-26(23)22-36-31;/h4-17,19,21-22H,1-3H3;/q-2;+2.
What are the key properties of 3-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]isoquinoline;platinum(2+)?
3-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]isoquinoline;platinum(2+) has a molecular weight of 673.67 g/mol, XLogP of 8.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]isoquinoline;platinum(2+) is sourced from PubChem (CID 153428777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).