2,4-ditert-butyl-6-[4-phenyl-6-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]pyrimidin-2-yl]phenol;platinum

C47H43N4OPt- — CID 153280225

IUPAC2,4-ditert-butyl-6-[4-phenyl-6-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]pyrimidin-2-yl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2nc(-c3[c-]c(N(c4ccccn4)c4ccccc4-c4ccccc4)ccc3)cc(-c3ccccc3)n2)c(O)c(C(C)(C)C)c1.[Pt]
InChIInChI=1S/C47H43N4O.Pt/c1-46(2,3)35-29-38(44(52)39(30-35)47(4,5)6)45-49-40(33-20-11-8-12-21-33)31-41(50-45)34-22-17-23-36(28-34)51(43-26-15-16-27-48-43)42-25-14-13-24-37(42)32-18-9-7-10-19-32;/h7-27,29-31,52H,1-6H3;/q-1;
InChIKeyDUHQDVMUEHFSTQ-UHFFFAOYSA-N
MW874.97 g/mol
LogP12.11
Rot. Bonds7

About 2,4-ditert-butyl-6-[4-phenyl-6-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]pyrimidin-2-yl]phenol;platinum

2,4-ditert-butyl-6-[4-phenyl-6-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]pyrimidin-2-yl]phenol;platinum (PubChem CID 153280225) has the molecular formula C47H43N4OPt- and a molecular weight of 874.97 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-phenyl-6-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]pyrimidin-2-yl]phenol;platinum.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[4-phenyl-6-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]pyrimidin-2-yl]phenol;platinum
PubChem CID153280225
Molecular FormulaC47H43N4OPt-
Molecular Weight874.97 g/mol
Exact Mass874.31
IUPAC Name2,4-ditert-butyl-6-[4-phenyl-6-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]pyrimidin-2-yl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2nc(-c3[c-]c(N(c4ccccn4)c4ccccc4-c4ccccc4)ccc3)cc(-c3ccccc3)n2)c(O)c(C(C)(C)C)c1.[Pt]
InChIInChI=1S/C47H43N4O.Pt/c1-46(2,3)35-29-38(44(52)39(30-35)47(4,5)6)45-49-40(33-20-11-8-12-21-33)31-41(50-45)34-22-17-23-36(28-34)51(43-26-15-16-27-48-43)42-25-14-13-24-37(42)32-18-9-7-10-19-32;/h7-27,29-31,52H,1-6H3;/q-1;
InChIKeyDUHQDVMUEHFSTQ-UHFFFAOYSA-N
XLogP12.11
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500874.97
LogP ≤ 512.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,4-ditert-butyl-6-[4-phenyl-6-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]pyrimidin-2-yl]phenol;platinum with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[4-phenyl-6-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]pyrimidin-2-yl]phenol;platinum?
The IUPAC name of 2,4-ditert-butyl-6-[4-phenyl-6-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]pyrimidin-2-yl]phenol;platinum (CID 153280225) is 2,4-ditert-butyl-6-[4-phenyl-6-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]pyrimidin-2-yl]phenol;platinum.
What is the SMILES notation for 2,4-ditert-butyl-6-[4-phenyl-6-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]pyrimidin-2-yl]phenol;platinum?
The canonical SMILES for 2,4-ditert-butyl-6-[4-phenyl-6-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]pyrimidin-2-yl]phenol;platinum is CC(C)(C)c1cc(-c2nc(-c3[c-]c(N(c4ccccn4)c4ccccc4-c4ccccc4)ccc3)cc(-c3ccccc3)n2)c(O)c(C(C)(C)C)c1.[Pt].
What is the InChIKey of 2,4-ditert-butyl-6-[4-phenyl-6-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]pyrimidin-2-yl]phenol;platinum?
The InChIKey is DUHQDVMUEHFSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H43N4O.Pt/c1-46(2,3)35-29-38(44(52)39(30-35)47(4,5)6)45-49-40(33-20-11-8-12-21-33)31-41(50-45)34-22-17-23-36(28-34)51(43-26-15-16-27-48-43)42-25-14-13-24-37(42)32-18-9-7-10-19-32;/h7-27,29-31,52H,1-6H3;/q-1;.
What are the key properties of 2,4-ditert-butyl-6-[4-phenyl-6-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]pyrimidin-2-yl]phenol;platinum?
2,4-ditert-butyl-6-[4-phenyl-6-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]pyrimidin-2-yl]phenol;platinum has a molecular weight of 874.97 g/mol, XLogP of 12.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[4-phenyl-6-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]pyrimidin-2-yl]phenol;platinum is sourced from PubChem (CID 153280225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).