2-[2-[3-[dimethyl(pyridin-2-yl)silyl]benzene-2-id-1-yl]-3,6-di(propan-2-yl)pyrido[2,3-b]indol-9-yl]phenol;platinum

C36H36N3OPtSi- — CID 154590034

About 2-[2-[3-[dimethyl(pyridin-2-yl)silyl]benzene-2-id-1-yl]-3,6-di(propan-2-yl)pyrido[2,3-b]indol-9-yl]phenol;platinum

2-[2-[3-[dimethyl(pyridin-2-yl)silyl]benzene-2-id-1-yl]-3,6-di(propan-2-yl)pyrido[2,3-b]indol-9-yl]phenol;platinum (PubChem CID 154590034) has the molecular formula C36H36N3OPtSi- and a molecular weight of 749.87 g/mol. Its IUPAC name is 2-[2-[3-[dimethyl(pyridin-2-yl)silyl]benzene-2-id-1-yl]-3,6-di(propan-2-yl)pyrido[2,3-b]indol-9-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[2-[3-[dimethyl(pyridin-2-yl)silyl]benzene-2-id-1-yl]-3,6-di(propan-2-yl)pyrido[2,3-b]indol-9-yl]phenol;platinum
• PubChem CID: 154590034
• Molecular Formula: C36H36N3OPtSi-
• Molecular Weight: 749.87 g/mol
• Exact Mass: 749.23
• IUPAC Name: 2-[2-[3-[dimethyl(pyridin-2-yl)silyl]benzene-2-id-1-yl]-3,6-di(propan-2-yl)pyrido[2,3-b]indol-9-yl]phenol;platinum
• SMILES: CC(C)c1ccc2c(c1)c1cc(C(C)C)c(-c3[c-]c([Si](C)(C)c4ccccn4)ccc3)nc1n2-c1ccccc1O.[Pt]
• InChI: InChI=1S/C36H36N3OSi.Pt/c1-23(2)25-17-18-31-29(21-25)30-22-28(24(3)4)35(38-36(30)39(31)32-14-7-8-15-33(32)40)26-12-11-13-27(20-26)41(5,6)34-16-9-10-19-37-34;/h7-19,21-24,40H,1-6H3;/q-1
• InChIKey: KMSUYZRKDRATEG-UHFFFAOYSA-N
• XLogP: 7.81
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	749.87
LogP ≤ 5	7.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[dimethyl(pyridin-2-yl)silyl]benzene-2-id-1-yl]-3,6-di(propan-2-yl)pyrido[2,3-b]indol-9-yl]phenol;platinum?

The IUPAC name of 2-[2-[3-[dimethyl(pyridin-2-yl)silyl]benzene-2-id-1-yl]-3,6-di(propan-2-yl)pyrido[2,3-b]indol-9-yl]phenol;platinum (CID 154590034) is 2-[2-[3-[dimethyl(pyridin-2-yl)silyl]benzene-2-id-1-yl]-3,6-di(propan-2-yl)pyrido[2,3-b]indol-9-yl]phenol;platinum.

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

The canonical SMILES for 2-[2-[3-[dimethyl(pyridin-2-yl)silyl]benzene-2-id-1-yl]-3,6-di(propan-2-yl)pyrido[2,3-b]indol-9-yl]phenol;platinum is CC(C)c1ccc2c(c1)c1cc(C(C)C)c(-c3[c-]c([Si](C)(C)c4ccccn4)ccc3)nc1n2-c1ccccc1O.[Pt].

What is the InChIKey of 2-[2-[3-[dimethyl(pyridin-2-yl)silyl]benzene-2-id-1-yl]-3,6-di(propan-2-yl)pyrido[2,3-b]indol-9-yl]phenol;platinum?

The InChIKey is KMSUYZRKDRATEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36N3OSi.Pt/c1-23(2)25-17-18-31-29(21-25)30-22-28(24(3)4)35(38-36(30)39(31)32-14-7-8-15-33(32)40)26-12-11-13-27(20-26)41(5,6)34-16-9-10-19-37-34;/h7-19,21-24,40H,1-6H3;/q-1;.

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

2-[2-[3-[dimethyl(pyridin-2-yl)silyl]benzene-2-id-1-yl]-3,6-di(propan-2-yl)pyrido[2,3-b]indol-9-yl]phenol;platinum has a molecular weight of 749.87 g/mol, XLogP of 7.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[3-[dimethyl(pyridin-2-yl)silyl]benzene-2-id-1-yl]-3,6-di(propan-2-yl)pyrido[2,3-b]indol-9-yl]phenol;platinum is sourced from PubChem (CID 154590034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).