2-[2-[3-[2-[4-(2,6-dimethylphenyl)-2-pyridinyl]propan-2-yl]benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;platinum

C39H32N3OPt- — CID 154590060

About 2-[2-[3-[2-[4-(2,6-dimethylphenyl)-2-pyridinyl]propan-2-yl]benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;platinum

2-[2-[3-[2-[4-(2,6-dimethylphenyl)-2-pyridinyl]propan-2-yl]benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;platinum (PubChem CID 154590060) has the molecular formula C39H32N3OPt- and a molecular weight of 753.78 g/mol. Its IUPAC name is 2-[2-[3-[2-[4-(2,6-dimethylphenyl)-2-pyridinyl]propan-2-yl]benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[2-[3-[2-[4-(2,6-dimethylphenyl)-2-pyridinyl]propan-2-yl]benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;platinum
• PubChem CID: 154590060
• Molecular Formula: C39H32N3OPt-
• Molecular Weight: 753.78 g/mol
• Exact Mass: 753.22
• IUPAC Name: 2-[2-[3-[2-[4-(2,6-dimethylphenyl)-2-pyridinyl]propan-2-yl]benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;platinum
• SMILES: Cc1cccc(C)c1-c1ccnc(C(C)(C)c2[c-]c(-c3ccc4c5ccccc5n(-c5ccccc5O)c4n3)ccc2)c1.[Pt]
• InChI: InChI=1S/C39H32N3O.Pt/c1-25-11-9-12-26(2)37(25)28-21-22-40-36(24-28)39(3,4)29-14-10-13-27(23-29)32-20-19-31-30-15-5-6-16-33(30)42(38(31)41-32)34-17-7-8-18-35(34)43;/h5-22,24,43H,1-4H3;/q-1
• InChIKey: YSVBAXLOMJQKDR-UHFFFAOYSA-N
• XLogP: 9.35
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	753.78
LogP ≤ 5	9.35
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-[2-[3-[2-[4-(2,6-dimethylphenyl)-2-pyridinyl]propan-2-yl]benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;platinum?

The IUPAC name of 2-[2-[3-[2-[4-(2,6-dimethylphenyl)-2-pyridinyl]propan-2-yl]benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;platinum (CID 154590060) is 2-[2-[3-[2-[4-(2,6-dimethylphenyl)-2-pyridinyl]propan-2-yl]benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;platinum.

What is the SMILES notation for 2-[2-[3-[2-[4-(2,6-dimethylphenyl)-2-pyridinyl]propan-2-yl]benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;platinum?

The canonical SMILES for 2-[2-[3-[2-[4-(2,6-dimethylphenyl)-2-pyridinyl]propan-2-yl]benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;platinum is Cc1cccc(C)c1-c1ccnc(C(C)(C)c2[c-]c(-c3ccc4c5ccccc5n(-c5ccccc5O)c4n3)ccc2)c1.[Pt].

What is the InChIKey of 2-[2-[3-[2-[4-(2,6-dimethylphenyl)-2-pyridinyl]propan-2-yl]benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;platinum?

The InChIKey is YSVBAXLOMJQKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H32N3O.Pt/c1-25-11-9-12-26(2)37(25)28-21-22-40-36(24-28)39(3,4)29-14-10-13-27(23-29)32-20-19-31-30-15-5-6-16-33(30)42(38(31)41-32)34-17-7-8-18-35(34)43;/h5-22,24,43H,1-4H3;/q-1;.

What are the key properties of 2-[2-[3-[2-[4-(2,6-dimethylphenyl)-2-pyridinyl]propan-2-yl]benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;platinum?

2-[2-[3-[2-[4-(2,6-dimethylphenyl)-2-pyridinyl]propan-2-yl]benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;platinum has a molecular weight of 753.78 g/mol, XLogP of 9.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[3-[2-[4-(2,6-dimethylphenyl)-2-pyridinyl]propan-2-yl]benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;platinum is sourced from PubChem (CID 154590060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).