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

C34H26N2OPt — CID 153428786

IUPAC4-tert-butyl-2-[4-[(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)oxy]-3H-naphthalen-3-id-2-yl]pyridine;platinum(2+)
SMILESCC(C)(C)c1ccnc(-c2[c-]c(Oc3[c-]c(-c4ccccn4)c4ccccc4c3)c3ccccc3c2)c1.[Pt+2]
InChIInChI=1S/C34H26N2O.Pt/c1-34(2,3)26-15-17-36-32(21-26)25-18-23-10-5-7-13-29(23)33(20-25)37-27-19-24-11-4-6-12-28(24)30(22-27)31-14-8-9-16-35-31;/h4-19,21H,1-3H3;/q-2;+2
InChIKeyCJZUEXMWIXVCQW-UHFFFAOYSA-N
MW673.67 g/mol
LogP8.80
Rot. Bonds4

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

4-tert-butyl-2-[4-[(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)oxy]-3H-naphthalen-3-id-2-yl]pyridine;platinum(2+) (PubChem CID 153428786) has the molecular formula C34H26N2OPt and a molecular weight of 673.67 g/mol. Its IUPAC name is 4-tert-butyl-2-[4-[(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)oxy]-3H-naphthalen-3-id-2-yl]pyridine;platinum(2+).

Molecular Properties

Compound Name4-tert-butyl-2-[4-[(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)oxy]-3H-naphthalen-3-id-2-yl]pyridine;platinum(2+)
PubChem CID153428786
Molecular FormulaC34H26N2OPt
Molecular Weight673.67 g/mol
Exact Mass673.17
IUPAC Name4-tert-butyl-2-[4-[(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)oxy]-3H-naphthalen-3-id-2-yl]pyridine;platinum(2+)
SMILESCC(C)(C)c1ccnc(-c2[c-]c(Oc3[c-]c(-c4ccccn4)c4ccccc4c3)c3ccccc3c2)c1.[Pt+2]
InChIInChI=1S/C34H26N2O.Pt/c1-34(2,3)26-15-17-36-32(21-26)25-18-23-10-5-7-13-29(23)33(20-25)37-27-19-24-11-4-6-12-28(24)30(22-27)31-14-8-9-16-35-31;/h4-19,21H,1-3H3;/q-2;+2
InChIKeyCJZUEXMWIXVCQW-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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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[4-[(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)oxy]-3H-naphthalen-3-id-2-yl]pyridine;platinum(2+)?
The IUPAC name of 4-tert-butyl-2-[4-[(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)oxy]-3H-naphthalen-3-id-2-yl]pyridine;platinum(2+) (CID 153428786) is 4-tert-butyl-2-[4-[(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)oxy]-3H-naphthalen-3-id-2-yl]pyridine;platinum(2+).
What is the SMILES notation for 4-tert-butyl-2-[4-[(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)oxy]-3H-naphthalen-3-id-2-yl]pyridine;platinum(2+)?
The canonical SMILES for 4-tert-butyl-2-[4-[(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)oxy]-3H-naphthalen-3-id-2-yl]pyridine;platinum(2+) is CC(C)(C)c1ccnc(-c2[c-]c(Oc3[c-]c(-c4ccccn4)c4ccccc4c3)c3ccccc3c2)c1.[Pt+2].
What is the InChIKey of 4-tert-butyl-2-[4-[(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)oxy]-3H-naphthalen-3-id-2-yl]pyridine;platinum(2+)?
The InChIKey is CJZUEXMWIXVCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N2O.Pt/c1-34(2,3)26-15-17-36-32(21-26)25-18-23-10-5-7-13-29(23)33(20-25)37-27-19-24-11-4-6-12-28(24)30(22-27)31-14-8-9-16-35-31;/h4-19,21H,1-3H3;/q-2;+2.
What are the key properties of 4-tert-butyl-2-[4-[(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)oxy]-3H-naphthalen-3-id-2-yl]pyridine;platinum(2+)?
4-tert-butyl-2-[4-[(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)oxy]-3H-naphthalen-3-id-2-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-[4-[(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)oxy]-3H-naphthalen-3-id-2-yl]pyridine;platinum(2+) is sourced from PubChem (CID 153428786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).