2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-6-phenylpyrimidin-2-yl]phenol;platinum

C37H25N4OPt- — CID 153280239

IUPAC2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-6-phenylpyrimidin-2-yl]phenol;platinum
SMILESOc1ccccc1-c1nc(-c2[c-]c(N(c3ccccn3)c3cccc4ccccc34)ccc2)cc(-c2ccccc2)n1.[Pt]
InChIInChI=1S/C37H25N4O.Pt/c42-35-21-7-6-19-31(35)37-39-32(27-13-2-1-3-14-27)25-33(40-37)28-16-10-17-29(24-28)41(36-22-8-9-23-38-36)34-20-11-15-26-12-4-5-18-30(26)34;/h1-23,25,42H;/q-1;
InChIKeyXHKXVRLZNJXLAN-UHFFFAOYSA-N
MW736.71 g/mol
LogP9.00
Rot. Bonds6

About 2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-6-phenylpyrimidin-2-yl]phenol;platinum

2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-6-phenylpyrimidin-2-yl]phenol;platinum (PubChem CID 153280239) has the molecular formula C37H25N4OPt- and a molecular weight of 736.71 g/mol. Its IUPAC name is 2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-6-phenylpyrimidin-2-yl]phenol;platinum.

Molecular Properties

Compound Name2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-6-phenylpyrimidin-2-yl]phenol;platinum
PubChem CID153280239
Molecular FormulaC37H25N4OPt-
Molecular Weight736.71 g/mol
Exact Mass736.17
IUPAC Name2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-6-phenylpyrimidin-2-yl]phenol;platinum
SMILESOc1ccccc1-c1nc(-c2[c-]c(N(c3ccccn3)c3cccc4ccccc34)ccc2)cc(-c2ccccc2)n1.[Pt]
InChIInChI=1S/C37H25N4O.Pt/c42-35-21-7-6-19-31(35)37-39-32(27-13-2-1-3-14-27)25-33(40-37)28-16-10-17-29(24-28)41(36-22-8-9-23-38-36)34-20-11-15-26-12-4-5-18-30(26)34;/h1-23,25,42H;/q-1;
InChIKeyXHKXVRLZNJXLAN-UHFFFAOYSA-N
XLogP9.00
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.71
LogP ≤ 59.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-6-phenylpyrimidin-2-yl]phenol;platinum?
The IUPAC name of 2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-6-phenylpyrimidin-2-yl]phenol;platinum (CID 153280239) is 2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-6-phenylpyrimidin-2-yl]phenol;platinum.
What is the SMILES notation for 2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-6-phenylpyrimidin-2-yl]phenol;platinum?
The canonical SMILES for 2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-6-phenylpyrimidin-2-yl]phenol;platinum is Oc1ccccc1-c1nc(-c2[c-]c(N(c3ccccn3)c3cccc4ccccc34)ccc2)cc(-c2ccccc2)n1.[Pt].
What is the InChIKey of 2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-6-phenylpyrimidin-2-yl]phenol;platinum?
The InChIKey is XHKXVRLZNJXLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25N4O.Pt/c42-35-21-7-6-19-31(35)37-39-32(27-13-2-1-3-14-27)25-33(40-37)28-16-10-17-29(24-28)41(36-22-8-9-23-38-36)34-20-11-15-26-12-4-5-18-30(26)34;/h1-23,25,42H;/q-1;.
What are the key properties of 2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-6-phenylpyrimidin-2-yl]phenol;platinum?
2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-6-phenylpyrimidin-2-yl]phenol;platinum has a molecular weight of 736.71 g/mol, XLogP of 9.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-6-phenylpyrimidin-2-yl]phenol;platinum is sourced from PubChem (CID 153280239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).