6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]propan-2-yl]-4-(N-phenylanilino)pyridine-2-carboxylic acid;platinum

About 6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]propan-2-yl]-4-(N-phenylanilino)pyridine-2-carboxylic acid;platinum

6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]propan-2-yl]-4-(N-phenylanilino)pyridine-2-carboxylic acid;platinum (PubChem CID 58831109) has the molecular formula C44H33F2N4O2Pt- and a molecular weight of 882.85 g/mol. Its IUPAC name is 6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]propan-2-yl]-4-(N-phenylanilino)pyridine-2-carboxylic acid;platinum.

Molecular Properties

Compound Name	6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]propan-2-yl]-4-(N-phenylanilino)pyridine-2-carboxylic acid;platinum
PubChem CID	58831109
Molecular Formula	C44H33F2N4O2Pt-
Molecular Weight	882.85 g/mol
Exact Mass	882.22
IUPAC Name	6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]propan-2-yl]-4-(N-phenylanilino)pyridine-2-carboxylic acid;platinum
SMILES	CC(C)(c1cc(N(c2ccccc2)c2ccccc2)cc(C(=O)O)n1)c1cc(N(c2ccccc2)c2ccccc2)cc(-c2[c-]cc(F)cc2F)n1.[Pt]
InChI	InChI=1S/C44H33F2N4O2.Pt/c1-44(2,42-29-36(27-40(48-42)43(51)52)50(33-19-11-5-12-20-33)34-21-13-6-14-22-34)41-28-35(26-39(47-41)37-24-23-30(45)25-38(37)46)49(31-15-7-3-8-16-31)32-17-9-4-10-18-32;/h3-23,25-29H,1-2H3,(H,51,52);/q-1;
InChIKey	VWURMYNZNGXQKL-UHFFFAOYSA-N
XLogP	11.18
TPSA	69.56 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	10
Heavy Atoms	53
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	882.85
LogP ≤ 5	11.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]propan-2-yl]-4-(N-phenylanilino)pyridine-2-carboxylic acid;platinum?

The IUPAC name of 6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]propan-2-yl]-4-(N-phenylanilino)pyridine-2-carboxylic acid;platinum (CID 58831109) is 6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]propan-2-yl]-4-(N-phenylanilino)pyridine-2-carboxylic acid;platinum.

What is the SMILES notation for 6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]propan-2-yl]-4-(N-phenylanilino)pyridine-2-carboxylic acid;platinum?

The canonical SMILES for 6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]propan-2-yl]-4-(N-phenylanilino)pyridine-2-carboxylic acid;platinum is CC(C)(c1cc(N(c2ccccc2)c2ccccc2)cc(C(=O)O)n1)c1cc(N(c2ccccc2)c2ccccc2)cc(-c2[c-]cc(F)cc2F)n1.[Pt].

What is the InChIKey of 6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]propan-2-yl]-4-(N-phenylanilino)pyridine-2-carboxylic acid;platinum?

The InChIKey is VWURMYNZNGXQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H33F2N4O2.Pt/c1-44(2,42-29-36(27-40(48-42)43(51)52)50(33-19-11-5-12-20-33)34-21-13-6-14-22-34)41-28-35(26-39(47-41)37-24-23-30(45)25-38(37)46)49(31-15-7-3-8-16-31)32-17-9-4-10-18-32;/h3-23,25-29H,1-2H3,(H,51,52);/q-1;.

What are the key properties of 6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]propan-2-yl]-4-(N-phenylanilino)pyridine-2-carboxylic acid;platinum?

6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]propan-2-yl]-4-(N-phenylanilino)pyridine-2-carboxylic acid;platinum has a molecular weight of 882.85 g/mol, XLogP of 11.18, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]propan-2-yl]-4-(N-phenylanilino)pyridine-2-carboxylic acid;platinum is sourced from PubChem (CID 58831109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).