9-(4-fluorophenyl)-3-N,6-N-diphenyl-3-N,6-N-dipyridin-2-yl-4,5-dihydrocarbazole-4,5-diide-3,6-diamine;platinum(2+)

C40H26FN5Pt — CID 153433370

About 9-(4-fluorophenyl)-3-N,6-N-diphenyl-3-N,6-N-dipyridin-2-yl-4,5-dihydrocarbazole-4,5-diide-3,6-diamine;platinum(2+)

9-(4-fluorophenyl)-3-N,6-N-diphenyl-3-N,6-N-dipyridin-2-yl-4,5-dihydrocarbazole-4,5-diide-3,6-diamine;platinum(2+) (PubChem CID 153433370) has the molecular formula C40H26FN5Pt and a molecular weight of 790.76 g/mol. Its IUPAC name is 9-(4-fluorophenyl)-3-N,6-N-diphenyl-3-N,6-N-dipyridin-2-yl-4,5-dihydrocarbazole-4,5-diide-3,6-diamine;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-fluorophenyl)-3-N,6-N-diphenyl-3-N,6-N-dipyridin-2-yl-4,5-dihydrocarbazole-4,5-diide-3,6-diamine;platinum(2+)
• PubChem CID: 153433370
• Molecular Formula: C40H26FN5Pt
• Molecular Weight: 790.76 g/mol
• Exact Mass: 790.18
• IUPAC Name: 9-(4-fluorophenyl)-3-N,6-N-diphenyl-3-N,6-N-dipyridin-2-yl-4,5-dihydrocarbazole-4,5-diide-3,6-diamine;platinum(2+)
• SMILES: Fc1ccc(-n2c3ccc(N(c4ccccc4)c4ccccn4)[c-]c3c3[c-]c(N(c4ccccc4)c4ccccn4)ccc32)cc1.[Pt+2]
• InChI: InChI=1S/C40H26FN5.Pt/c41-29-17-19-32(20-18-29)46-37-23-21-33(44(30-11-3-1-4-12-30)39-15-7-9-25-42-39)27-35(37)36-28-34(22-24-38(36)46)45(31-13-5-2-6-14-31)40-16-8-10-26-43-40;/h1-26H;/q-2;+2
• InChIKey: BNQCMJYEKLHAAU-UHFFFAOYSA-N
• XLogP: 10.25
• TPSA: 37.19 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	790.76
LogP ≤ 5	10.25
H-Bond Donors ≤ 5	0
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 9-(4-fluorophenyl)-3-N,6-N-diphenyl-3-N,6-N-dipyridin-2-yl-4,5-dihydrocarbazole-4,5-diide-3,6-diamine;platinum(2+)?

The IUPAC name of 9-(4-fluorophenyl)-3-N,6-N-diphenyl-3-N,6-N-dipyridin-2-yl-4,5-dihydrocarbazole-4,5-diide-3,6-diamine;platinum(2+) (CID 153433370) is 9-(4-fluorophenyl)-3-N,6-N-diphenyl-3-N,6-N-dipyridin-2-yl-4,5-dihydrocarbazole-4,5-diide-3,6-diamine;platinum(2+).

What is the SMILES notation for 9-(4-fluorophenyl)-3-N,6-N-diphenyl-3-N,6-N-dipyridin-2-yl-4,5-dihydrocarbazole-4,5-diide-3,6-diamine;platinum(2+)?

The canonical SMILES for 9-(4-fluorophenyl)-3-N,6-N-diphenyl-3-N,6-N-dipyridin-2-yl-4,5-dihydrocarbazole-4,5-diide-3,6-diamine;platinum(2+) is Fc1ccc(-n2c3ccc(N(c4ccccc4)c4ccccn4)[c-]c3c3[c-]c(N(c4ccccc4)c4ccccn4)ccc32)cc1.[Pt+2].

What is the InChIKey of 9-(4-fluorophenyl)-3-N,6-N-diphenyl-3-N,6-N-dipyridin-2-yl-4,5-dihydrocarbazole-4,5-diide-3,6-diamine;platinum(2+)?

The InChIKey is BNQCMJYEKLHAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26FN5.Pt/c41-29-17-19-32(20-18-29)46-37-23-21-33(44(30-11-3-1-4-12-30)39-15-7-9-25-42-39)27-35(37)36-28-34(22-24-38(36)46)45(31-13-5-2-6-14-31)40-16-8-10-26-43-40;/h1-26H;/q-2;+2.

What are the key properties of 9-(4-fluorophenyl)-3-N,6-N-diphenyl-3-N,6-N-dipyridin-2-yl-4,5-dihydrocarbazole-4,5-diide-3,6-diamine;platinum(2+)?

9-(4-fluorophenyl)-3-N,6-N-diphenyl-3-N,6-N-dipyridin-2-yl-4,5-dihydrocarbazole-4,5-diide-3,6-diamine;platinum(2+) has a molecular weight of 790.76 g/mol, XLogP of 10.25, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-fluorophenyl)-3-N,6-N-diphenyl-3-N,6-N-dipyridin-2-yl-4,5-dihydrocarbazole-4,5-diide-3,6-diamine;platinum(2+) is sourced from PubChem (CID 153433370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).