2-[(8-tert-butyl-5-methyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)sulfanyl]-4-methyl-7-propan-2-ylquinolin-8-ol;platinum

C35H34N3OPtS- — CID 176605869

About 2-[(8-tert-butyl-5-methyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)sulfanyl]-4-methyl-7-propan-2-ylquinolin-8-ol;platinum

2-[(8-tert-butyl-5-methyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)sulfanyl]-4-methyl-7-propan-2-ylquinolin-8-ol;platinum (PubChem CID 176605869) has the molecular formula C35H34N3OPtS- and a molecular weight of 739.82 g/mol. Its IUPAC name is 2-[(8-tert-butyl-5-methyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)sulfanyl]-4-methyl-7-propan-2-ylquinolin-8-ol;platinum.

Molecular Properties

• Compound Name: 2-[(8-tert-butyl-5-methyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)sulfanyl]-4-methyl-7-propan-2-ylquinolin-8-ol;platinum
• PubChem CID: 176605869
• Molecular Formula: C35H34N3OPtS-
• Molecular Weight: 739.82 g/mol
• Exact Mass: 739.21
• IUPAC Name: 2-[(8-tert-butyl-5-methyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)sulfanyl]-4-methyl-7-propan-2-ylquinolin-8-ol;platinum
• SMILES: Cc1cc(Sc2[c-]c3c(cc2)c2c(C)ccc(C(C)(C)C)c2n3-c2ccccn2)nc2c(O)c(C(C)C)ccc12.[Pt]
• InChI: InChI=1S/C35H34N3OS.Pt/c1-20(2)24-14-15-25-22(4)18-30(37-32(25)34(24)39)40-23-12-13-26-28(19-23)38(29-10-8-9-17-36-29)33-27(35(5,6)7)16-11-21(3)31(26)33;/h8-18,20,39H,1-7H3;/q-1
• InChIKey: HDUSYJUVHRHSLK-UHFFFAOYSA-N
• XLogP: 9.42
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	739.82
LogP ≤ 5	9.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(8-tert-butyl-5-methyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)sulfanyl]-4-methyl-7-propan-2-ylquinolin-8-ol;platinum?

The IUPAC name of 2-[(8-tert-butyl-5-methyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)sulfanyl]-4-methyl-7-propan-2-ylquinolin-8-ol;platinum (CID 176605869) is 2-[(8-tert-butyl-5-methyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)sulfanyl]-4-methyl-7-propan-2-ylquinolin-8-ol;platinum.

What is the SMILES notation for 2-[(8-tert-butyl-5-methyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)sulfanyl]-4-methyl-7-propan-2-ylquinolin-8-ol;platinum?

The canonical SMILES for 2-[(8-tert-butyl-5-methyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)sulfanyl]-4-methyl-7-propan-2-ylquinolin-8-ol;platinum is Cc1cc(Sc2[c-]c3c(cc2)c2c(C)ccc(C(C)(C)C)c2n3-c2ccccn2)nc2c(O)c(C(C)C)ccc12.[Pt].

What is the InChIKey of 2-[(8-tert-butyl-5-methyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)sulfanyl]-4-methyl-7-propan-2-ylquinolin-8-ol;platinum?

The InChIKey is HDUSYJUVHRHSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N3OS.Pt/c1-20(2)24-14-15-25-22(4)18-30(37-32(25)34(24)39)40-23-12-13-26-28(19-23)38(29-10-8-9-17-36-29)33-27(35(5,6)7)16-11-21(3)31(26)33;/h8-18,20,39H,1-7H3;/q-1;.

What are the key properties of 2-[(8-tert-butyl-5-methyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)sulfanyl]-4-methyl-7-propan-2-ylquinolin-8-ol;platinum?

2-[(8-tert-butyl-5-methyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)sulfanyl]-4-methyl-7-propan-2-ylquinolin-8-ol;platinum has a molecular weight of 739.82 g/mol, XLogP of 9.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(8-tert-butyl-5-methyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)sulfanyl]-4-methyl-7-propan-2-ylquinolin-8-ol;platinum is sourced from PubChem (CID 176605869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).