4-tert-butyl-2-[3-[(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)oxy]-2H-naphthalen-2-id-1-yl]pyridine;platinum(2+)

C34H26N2OPt — CID 153428737

IUPAC4-tert-butyl-2-[3-[(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)oxy]-2H-naphthalen-2-id-1-yl]pyridine;platinum(2+)
SMILESCC(C)(C)c1ccnc(-c2[c-]c(Oc3[c-]c(-c4ccccn4)cc4ccccc34)cc3ccccc23)c1.[Pt+2]
InChIInChI=1S/C34H26N2O.Pt/c1-34(2,3)26-15-17-36-32(21-26)30-22-27(19-24-11-4-6-12-28(24)30)37-33-20-25(31-14-8-9-16-35-31)18-23-10-5-7-13-29(23)33;/h4-19,21H,1-3H3;/q-2;+2
InChIKeyYWZSCYXSLZYGIN-UHFFFAOYSA-N
MW673.67 g/mol
LogP8.80
Rot. Bonds4

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

4-tert-butyl-2-[3-[(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)oxy]-2H-naphthalen-2-id-1-yl]pyridine;platinum(2+) (PubChem CID 153428737) has the molecular formula C34H26N2OPt and a molecular weight of 673.67 g/mol. Its IUPAC name is 4-tert-butyl-2-[3-[(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)oxy]-2H-naphthalen-2-id-1-yl]pyridine;platinum(2+).

Molecular Properties

Compound Name4-tert-butyl-2-[3-[(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)oxy]-2H-naphthalen-2-id-1-yl]pyridine;platinum(2+)
PubChem CID153428737
Molecular FormulaC34H26N2OPt
Molecular Weight673.67 g/mol
Exact Mass673.17
IUPAC Name4-tert-butyl-2-[3-[(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)oxy]-2H-naphthalen-2-id-1-yl]pyridine;platinum(2+)
SMILESCC(C)(C)c1ccnc(-c2[c-]c(Oc3[c-]c(-c4ccccn4)cc4ccccc34)cc3ccccc23)c1.[Pt+2]
InChIInChI=1S/C34H26N2O.Pt/c1-34(2,3)26-15-17-36-32(21-26)30-22-27(19-24-11-4-6-12-28(24)30)37-33-20-25(31-14-8-9-16-35-31)18-23-10-5-7-13-29(23)33;/h4-19,21H,1-3H3;/q-2;+2
InChIKeyYWZSCYXSLZYGIN-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-benzyl-1H-3-indolyl)butyl]spiro[1,3-dihydroisobenzofuran-1,4''-(hexahydropyridine)]
CID 9889994
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'-[(2-pyridin-3-ylphenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 44561269
1'-[(4-pyridin-3-ylphenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 44561270
1'-[(3-pyridin-3-ylphenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 44561299
1'-[4-[1-(2-fluoroethyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 127038089
1'-[4-[3-(2-fluoroethyl)indol-1-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 127039150

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[3-[(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)oxy]-2H-naphthalen-2-id-1-yl]pyridine;platinum(2+)?
The IUPAC name of 4-tert-butyl-2-[3-[(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)oxy]-2H-naphthalen-2-id-1-yl]pyridine;platinum(2+) (CID 153428737) is 4-tert-butyl-2-[3-[(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)oxy]-2H-naphthalen-2-id-1-yl]pyridine;platinum(2+).
What is the SMILES notation for 4-tert-butyl-2-[3-[(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)oxy]-2H-naphthalen-2-id-1-yl]pyridine;platinum(2+)?
The canonical SMILES for 4-tert-butyl-2-[3-[(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)oxy]-2H-naphthalen-2-id-1-yl]pyridine;platinum(2+) is CC(C)(C)c1ccnc(-c2[c-]c(Oc3[c-]c(-c4ccccn4)cc4ccccc34)cc3ccccc23)c1.[Pt+2].
What is the InChIKey of 4-tert-butyl-2-[3-[(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)oxy]-2H-naphthalen-2-id-1-yl]pyridine;platinum(2+)?
The InChIKey is YWZSCYXSLZYGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N2O.Pt/c1-34(2,3)26-15-17-36-32(21-26)30-22-27(19-24-11-4-6-12-28(24)30)37-33-20-25(31-14-8-9-16-35-31)18-23-10-5-7-13-29(23)33;/h4-19,21H,1-3H3;/q-2;+2.
What are the key properties of 4-tert-butyl-2-[3-[(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)oxy]-2H-naphthalen-2-id-1-yl]pyridine;platinum(2+)?
4-tert-butyl-2-[3-[(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)oxy]-2H-naphthalen-2-id-1-yl]pyridine;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 4-tert-butyl-2-[3-[(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)oxy]-2H-naphthalen-2-id-1-yl]pyridine;platinum(2+) is sourced from PubChem (CID 153428737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).