2-[6-[3-(2-phenylpropan-2-yl)-5-(N-pyridin-2-ylanilino)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum

C37H30N3OPt- — CID 164742111

IUPAC2-[6-[3-(2-phenylpropan-2-yl)-5-(N-pyridin-2-ylanilino)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum
SMILESCC(C)(c1ccccc1)c1cc(-c2cccc(-c3ccccc3O)n2)[c-]c(N(c2ccccc2)c2ccccn2)c1.[Pt]
InChIInChI=1S/C37H30N3O.Pt/c1-37(2,28-14-5-3-6-15-28)29-24-27(33-19-13-20-34(39-33)32-18-9-10-21-35(32)41)25-31(26-29)40(30-16-7-4-8-17-30)36-22-11-12-23-38-36;/h3-24,26,41H,1-2H3;/q-1;
InChIKeyBWBNIIOHGBFRGA-UHFFFAOYSA-N
MW727.75 g/mol
LogP9.11
Rot. Bonds7

About 2-[6-[3-(2-phenylpropan-2-yl)-5-(N-pyridin-2-ylanilino)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum

2-[6-[3-(2-phenylpropan-2-yl)-5-(N-pyridin-2-ylanilino)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum (PubChem CID 164742111) has the molecular formula C37H30N3OPt- and a molecular weight of 727.75 g/mol. Its IUPAC name is 2-[6-[3-(2-phenylpropan-2-yl)-5-(N-pyridin-2-ylanilino)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum.

Molecular Properties

Compound Name2-[6-[3-(2-phenylpropan-2-yl)-5-(N-pyridin-2-ylanilino)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum
PubChem CID164742111
Molecular FormulaC37H30N3OPt-
Molecular Weight727.75 g/mol
Exact Mass727.20
IUPAC Name2-[6-[3-(2-phenylpropan-2-yl)-5-(N-pyridin-2-ylanilino)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum
SMILESCC(C)(c1ccccc1)c1cc(-c2cccc(-c3ccccc3O)n2)[c-]c(N(c2ccccc2)c2ccccn2)c1.[Pt]
InChIInChI=1S/C37H30N3O.Pt/c1-37(2,28-14-5-3-6-15-28)29-24-27(33-19-13-20-34(39-33)32-18-9-10-21-35(32)41)25-31(26-29)40(30-16-7-4-8-17-30)36-22-11-12-23-38-36;/h3-24,26,41H,1-2H3;/q-1;
InChIKeyBWBNIIOHGBFRGA-UHFFFAOYSA-N
XLogP9.11
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.75
LogP ≤ 59.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-[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-[6-[3-(N-[3-(2-phenylpropan-2-yl)-2-pyridinyl]anilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
CID 164742061
platinum;2-[4-[6-(N-pyridin-2-ylanilino)-2-pyridinyl]-3H-pyridin-3-id-2-yl]phenol
CID 153280501
5-benzyl-2-[6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
CID 164742055
4-tert-butyl-2-[6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]pyrazin-2-yl]phenol;platinum
CID 153280356
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
2-[4-(2-phenylpropan-2-yl)-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)-2-pyridinyl]phenol;platinum
CID 164742231
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-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;methane;platinum
CID 159267999
2-[6-[3-(N-(5-benzyl-2-pyridinyl)anilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
CID 164742678

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-(2-phenylpropan-2-yl)-5-(N-pyridin-2-ylanilino)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum?
The IUPAC name of 2-[6-[3-(2-phenylpropan-2-yl)-5-(N-pyridin-2-ylanilino)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum (CID 164742111) is 2-[6-[3-(2-phenylpropan-2-yl)-5-(N-pyridin-2-ylanilino)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum.
What is the SMILES notation for 2-[6-[3-(2-phenylpropan-2-yl)-5-(N-pyridin-2-ylanilino)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum?
The canonical SMILES for 2-[6-[3-(2-phenylpropan-2-yl)-5-(N-pyridin-2-ylanilino)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum is CC(C)(c1ccccc1)c1cc(-c2cccc(-c3ccccc3O)n2)[c-]c(N(c2ccccc2)c2ccccn2)c1.[Pt].
What is the InChIKey of 2-[6-[3-(2-phenylpropan-2-yl)-5-(N-pyridin-2-ylanilino)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum?
The InChIKey is BWBNIIOHGBFRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30N3O.Pt/c1-37(2,28-14-5-3-6-15-28)29-24-27(33-19-13-20-34(39-33)32-18-9-10-21-35(32)41)25-31(26-29)40(30-16-7-4-8-17-30)36-22-11-12-23-38-36;/h3-24,26,41H,1-2H3;/q-1;.
What are the key properties of 2-[6-[3-(2-phenylpropan-2-yl)-5-(N-pyridin-2-ylanilino)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum?
2-[6-[3-(2-phenylpropan-2-yl)-5-(N-pyridin-2-ylanilino)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum has a molecular weight of 727.75 g/mol, XLogP of 9.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-(2-phenylpropan-2-yl)-5-(N-pyridin-2-ylanilino)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum is sourced from PubChem (CID 164742111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).