2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]-4,6-bis(1-phenylethyl)phenol;platinum

C50H43N2O2Pt- — CID 164743025

About 2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]-4,6-bis(1-phenylethyl)phenol;platinum

2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]-4,6-bis(1-phenylethyl)phenol;platinum (PubChem CID 164743025) has the molecular formula C50H43N2O2Pt- and a molecular weight of 898.98 g/mol. Its IUPAC name is 2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]-4,6-bis(1-phenylethyl)phenol;platinum.

Molecular Properties

• Compound Name: 2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]-4,6-bis(1-phenylethyl)phenol;platinum
• PubChem CID: 164743025
• Molecular Formula: C50H43N2O2Pt-
• Molecular Weight: 898.98 g/mol
• Exact Mass: 898.30
• IUPAC Name: 2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]-4,6-bis(1-phenylethyl)phenol;platinum
• SMILES: CC(c1ccccc1)c1cc(-c2nc3c(-c4[c-]c(-c5cc(-c6ccccc6)ccn5)cc(C(C)(C)C)c4)cccc3o2)c(O)c(C(C)c2ccccc2)c1.[Pt]
• InChI: InChI=1S/C50H43N2O2.Pt/c1-32(34-16-9-6-10-17-34)38-29-43(33(2)35-18-11-7-12-19-35)48(53)44(30-38)49-52-47-42(22-15-23-46(47)54-49)39-26-40(28-41(27-39)50(3,4)5)45-31-37(24-25-51-45)36-20-13-8-14-21-36;/h6-25,27-33,53H,1-5H3;/q-1
• InChIKey: PJSWOCFLKMXZBW-UHFFFAOYSA-N
• XLogP: 13.00
• TPSA: 59.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	898.98
LogP ≤ 5	13.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]-4,6-bis(1-phenylethyl)phenol;platinum?

The IUPAC name of 2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]-4,6-bis(1-phenylethyl)phenol;platinum (CID 164743025) is 2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]-4,6-bis(1-phenylethyl)phenol;platinum.

What is the SMILES notation for 2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]-4,6-bis(1-phenylethyl)phenol;platinum?

The canonical SMILES for 2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]-4,6-bis(1-phenylethyl)phenol;platinum is CC(c1ccccc1)c1cc(-c2nc3c(-c4[c-]c(-c5cc(-c6ccccc6)ccn5)cc(C(C)(C)C)c4)cccc3o2)c(O)c(C(C)c2ccccc2)c1.[Pt].

What is the InChIKey of 2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]-4,6-bis(1-phenylethyl)phenol;platinum?

The InChIKey is PJSWOCFLKMXZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H43N2O2.Pt/c1-32(34-16-9-6-10-17-34)38-29-43(33(2)35-18-11-7-12-19-35)48(53)44(30-38)49-52-47-42(22-15-23-46(47)54-49)39-26-40(28-41(27-39)50(3,4)5)45-31-37(24-25-51-45)36-20-13-8-14-21-36;/h6-25,27-33,53H,1-5H3;/q-1;.

What are the key properties of 2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]-4,6-bis(1-phenylethyl)phenol;platinum?

2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]-4,6-bis(1-phenylethyl)phenol;platinum has a molecular weight of 898.98 g/mol, XLogP of 13.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]-4,6-bis(1-phenylethyl)phenol;platinum is sourced from PubChem (CID 164743025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).