4-tert-butyl-2-[6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]pyrazin-2-yl]phenol;platinum

C31H27N4OPt- — CID 153280356

IUPAC4-tert-butyl-2-[6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]pyrazin-2-yl]phenol;platinum
SMILESCC(C)(C)c1ccc(O)c(-c2cncc(-c3[c-]c(N(c4ccccc4)c4ccccn4)ccc3)n2)c1.[Pt]
InChIInChI=1S/C31H27N4O.Pt/c1-31(2,3)23-15-16-29(36)26(19-23)28-21-32-20-27(34-28)22-10-9-13-25(18-22)35(24-11-5-4-6-12-24)30-14-7-8-17-33-30;/h4-17,19-21,36H,1-3H3;/q-1;
InChIKeyMWSHSFCVAJPDPJ-UHFFFAOYSA-N
MW666.66 g/mol
LogP7.48
Rot. Bonds5

About 4-tert-butyl-2-[6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]pyrazin-2-yl]phenol;platinum

4-tert-butyl-2-[6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]pyrazin-2-yl]phenol;platinum (PubChem CID 153280356) has the molecular formula C31H27N4OPt- and a molecular weight of 666.66 g/mol. Its IUPAC name is 4-tert-butyl-2-[6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]pyrazin-2-yl]phenol;platinum.

Molecular Properties

Compound Name4-tert-butyl-2-[6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]pyrazin-2-yl]phenol;platinum
PubChem CID153280356
Molecular FormulaC31H27N4OPt-
Molecular Weight666.66 g/mol
Exact Mass666.18
IUPAC Name4-tert-butyl-2-[6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]pyrazin-2-yl]phenol;platinum
SMILESCC(C)(C)c1ccc(O)c(-c2cncc(-c3[c-]c(N(c4ccccc4)c4ccccn4)ccc3)n2)c1.[Pt]
InChIInChI=1S/C31H27N4O.Pt/c1-31(2,3)23-15-16-29(36)26(19-23)28-21-32-20-27(34-28)22-10-9-13-25(18-22)35(24-11-5-4-6-12-24)30-14-7-8-17-33-30;/h4-17,19-21,36H,1-3H3;/q-1;
InChIKeyMWSHSFCVAJPDPJ-UHFFFAOYSA-N
XLogP7.48
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.66
LogP ≤ 57.48
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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Related Compounds

2-[6-[3-(2-phenylpropan-2-yl)-5-(N-pyridin-2-ylanilino)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum
CID 164742111
2-[3-(N-phenylanilino)-5-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzene-6-id-1-yl]phenol;platinum(2+)
CID 171752210
5-benzyl-2-[6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
CID 164742055
2-[4-(3,5-ditert-butylphenyl)-6-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;methane;platinum
CID 159267999
2-[4-tert-butyl-6-[3-tert-butyl-5-(N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]-4-(2-phenylpropan-2-yl)phenol
CID 164742517
2-[4-(3,5-ditert-butylphenyl)-6-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-2-pyridinyl]phenol;methane;platinum
CID 159418074
2-[6-[3-(N-[3-(2-phenylpropan-2-yl)-2-pyridinyl]anilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
CID 164742061
2-[6-[3-tert-butyl-5-(N-pyridin-2-ylanilino)benzene-6-id-1-yl]-4-[4-(1-phenylethyl)phenyl]-2-pyridinyl]phenol;platinum
CID 164742406
2-tert-butyl-6-[6-[3-tert-butyl-5-[4-(2-phenylpropan-2-yl)-N-pyridin-2-ylanilino]benzene-6-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum
CID 164742249
2-[6-[3-(N-(5-benzyl-2-pyridinyl)anilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
CID 164742678
2-[4-(3-benzylphenyl)-6-[3-tert-butyl-5-(3,5-ditert-butyl-N-pyridin-2-ylanilino)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum
CID 164743211
2,4-ditert-butyl-6-[4-phenyl-6-[3-(N-[4-[4-(1-phenylethyl)phenyl]-2-pyridinyl]anilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
CID 164743326

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]pyrazin-2-yl]phenol;platinum?
The IUPAC name of 4-tert-butyl-2-[6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]pyrazin-2-yl]phenol;platinum (CID 153280356) is 4-tert-butyl-2-[6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]pyrazin-2-yl]phenol;platinum.
What is the SMILES notation for 4-tert-butyl-2-[6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]pyrazin-2-yl]phenol;platinum?
The canonical SMILES for 4-tert-butyl-2-[6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]pyrazin-2-yl]phenol;platinum is CC(C)(C)c1ccc(O)c(-c2cncc(-c3[c-]c(N(c4ccccc4)c4ccccn4)ccc3)n2)c1.[Pt].
What is the InChIKey of 4-tert-butyl-2-[6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]pyrazin-2-yl]phenol;platinum?
The InChIKey is MWSHSFCVAJPDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N4O.Pt/c1-31(2,3)23-15-16-29(36)26(19-23)28-21-32-20-27(34-28)22-10-9-13-25(18-22)35(24-11-5-4-6-12-24)30-14-7-8-17-33-30;/h4-17,19-21,36H,1-3H3;/q-1;.
What are the key properties of 4-tert-butyl-2-[6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]pyrazin-2-yl]phenol;platinum?
4-tert-butyl-2-[6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]pyrazin-2-yl]phenol;platinum has a molecular weight of 666.66 g/mol, XLogP of 7.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]pyrazin-2-yl]phenol;platinum is sourced from PubChem (CID 153280356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).