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

C41H29N3OPt — CID 171752210

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

2-[3-(N-phenylanilino)-5-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzene-6-id-1-yl]phenol;platinum(2+) (PubChem CID 171752210) has the molecular formula C41H29N3OPt and a molecular weight of 774.78 g/mol. Its IUPAC name is 2-[3-(N-phenylanilino)-5-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzene-6-id-1-yl]phenol;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-(N-phenylanilino)-5-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzene-6-id-1-yl]phenol;platinum(2+)
• PubChem CID: 171752210
• Molecular Formula: C41H29N3OPt
• Molecular Weight: 774.78 g/mol
• Exact Mass: 774.20
• IUPAC Name: 2-[3-(N-phenylanilino)-5-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzene-6-id-1-yl]phenol;platinum(2+)
• SMILES: Oc1ccccc1-c1[c-]c(-c2[c-]c(N(c3ccccc3)c3ccccn3)ccc2)cc(N(c2ccccc2)c2ccccc2)c1.[Pt+2]
• InChI: InChI=1S/C41H29N3O.Pt/c45-40-24-11-10-23-39(40)33-27-32(29-38(30-33)43(34-16-4-1-5-17-34)35-18-6-2-7-19-35)31-15-14-22-37(28-31)44(36-20-8-3-9-21-36)41-25-12-13-26-42-41;/h1-26,29-30,45H;/q-2;+2
• InChIKey: AEMWRJOOMKDJBF-UHFFFAOYSA-N
• XLogP: 10.66
• TPSA: 39.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	774.78
LogP ≤ 5	10.66
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-[3-(N-phenylanilino)-5-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzene-6-id-1-yl]phenol;platinum(2+)?

The IUPAC name of 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) is 2-[3-(N-phenylanilino)-5-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzene-6-id-1-yl]phenol;platinum(2+).

What is the SMILES notation for 2-[3-(N-phenylanilino)-5-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzene-6-id-1-yl]phenol;platinum(2+)?

The canonical SMILES for 2-[3-(N-phenylanilino)-5-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzene-6-id-1-yl]phenol;platinum(2+) is Oc1ccccc1-c1[c-]c(-c2[c-]c(N(c3ccccc3)c3ccccn3)ccc2)cc(N(c2ccccc2)c2ccccc2)c1.[Pt+2].

What is the InChIKey of 2-[3-(N-phenylanilino)-5-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzene-6-id-1-yl]phenol;platinum(2+)?

The InChIKey is AEMWRJOOMKDJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29N3O.Pt/c45-40-24-11-10-23-39(40)33-27-32(29-38(30-33)43(34-16-4-1-5-17-34)35-18-6-2-7-19-35)31-15-14-22-37(28-31)44(36-20-8-3-9-21-36)41-25-12-13-26-42-41;/h1-26,29-30,45H;/q-2;+2.

What are the key properties of 2-[3-(N-phenylanilino)-5-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzene-6-id-1-yl]phenol;platinum(2+)?

2-[3-(N-phenylanilino)-5-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzene-6-id-1-yl]phenol;platinum(2+) has a molecular weight of 774.78 g/mol, XLogP of 10.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(N-phenylanilino)-5-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzene-6-id-1-yl]phenol;platinum(2+) is sourced from PubChem (CID 171752210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).