9-(4-fluorophenyl)-3-N,6-N-bis(1-methylimidazol-2-yl)-3-N,6-N-diphenyl-4,5-dihydrocarbazole-4,5-diide-3,6-diamine;platinum(2+)

C38H28FN7Pt — CID 153433462

About 9-(4-fluorophenyl)-3-N,6-N-bis(1-methylimidazol-2-yl)-3-N,6-N-diphenyl-4,5-dihydrocarbazole-4,5-diide-3,6-diamine;platinum(2+)

9-(4-fluorophenyl)-3-N,6-N-bis(1-methylimidazol-2-yl)-3-N,6-N-diphenyl-4,5-dihydrocarbazole-4,5-diide-3,6-diamine;platinum(2+) (PubChem CID 153433462) has the molecular formula C38H28FN7Pt and a molecular weight of 796.77 g/mol. Its IUPAC name is 9-(4-fluorophenyl)-3-N,6-N-bis(1-methylimidazol-2-yl)-3-N,6-N-diphenyl-4,5-dihydrocarbazole-4,5-diide-3,6-diamine;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-fluorophenyl)-3-N,6-N-bis(1-methylimidazol-2-yl)-3-N,6-N-diphenyl-4,5-dihydrocarbazole-4,5-diide-3,6-diamine;platinum(2+)
• PubChem CID: 153433462
• Molecular Formula: C38H28FN7Pt
• Molecular Weight: 796.77 g/mol
• Exact Mass: 796.20
• IUPAC Name: 9-(4-fluorophenyl)-3-N,6-N-bis(1-methylimidazol-2-yl)-3-N,6-N-diphenyl-4,5-dihydrocarbazole-4,5-diide-3,6-diamine;platinum(2+)
• SMILES: Cn1ccnc1N(c1[c-]c2c3[c-]c(N(c4ccccc4)c4nccn4C)ccc3n(-c3ccc(F)cc3)c2cc1)c1ccccc1.[Pt+2]
• InChI: InChI=1S/C38H28FN7.Pt/c1-42-23-21-40-37(42)44(28-9-5-3-6-10-28)31-17-19-35-33(25-31)34-26-32(18-20-36(34)46(35)30-15-13-27(39)14-16-30)45(29-11-7-4-8-12-29)38-41-22-24-43(38)2;/h3-24H,1-2H3;/q-2;+2
• InChIKey: ABTBCVYOKHLGQD-UHFFFAOYSA-N
• XLogP: 8.93
• TPSA: 47.05 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	796.77
LogP ≤ 5	8.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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-bis(1-methylimidazol-2-yl)-3-N,6-N-diphenyl-4,5-dihydrocarbazole-4,5-diide-3,6-diamine;platinum(2+)?

The IUPAC name of 9-(4-fluorophenyl)-3-N,6-N-bis(1-methylimidazol-2-yl)-3-N,6-N-diphenyl-4,5-dihydrocarbazole-4,5-diide-3,6-diamine;platinum(2+) (CID 153433462) is 9-(4-fluorophenyl)-3-N,6-N-bis(1-methylimidazol-2-yl)-3-N,6-N-diphenyl-4,5-dihydrocarbazole-4,5-diide-3,6-diamine;platinum(2+).

What is the SMILES notation for 9-(4-fluorophenyl)-3-N,6-N-bis(1-methylimidazol-2-yl)-3-N,6-N-diphenyl-4,5-dihydrocarbazole-4,5-diide-3,6-diamine;platinum(2+)?

The canonical SMILES for 9-(4-fluorophenyl)-3-N,6-N-bis(1-methylimidazol-2-yl)-3-N,6-N-diphenyl-4,5-dihydrocarbazole-4,5-diide-3,6-diamine;platinum(2+) is Cn1ccnc1N(c1[c-]c2c3[c-]c(N(c4ccccc4)c4nccn4C)ccc3n(-c3ccc(F)cc3)c2cc1)c1ccccc1.[Pt+2].

What is the InChIKey of 9-(4-fluorophenyl)-3-N,6-N-bis(1-methylimidazol-2-yl)-3-N,6-N-diphenyl-4,5-dihydrocarbazole-4,5-diide-3,6-diamine;platinum(2+)?

The InChIKey is ABTBCVYOKHLGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28FN7.Pt/c1-42-23-21-40-37(42)44(28-9-5-3-6-10-28)31-17-19-35-33(25-31)34-26-32(18-20-36(34)46(35)30-15-13-27(39)14-16-30)45(29-11-7-4-8-12-29)38-41-22-24-43(38)2;/h3-24H,1-2H3;/q-2;+2.

What are the key properties of 9-(4-fluorophenyl)-3-N,6-N-bis(1-methylimidazol-2-yl)-3-N,6-N-diphenyl-4,5-dihydrocarbazole-4,5-diide-3,6-diamine;platinum(2+)?

9-(4-fluorophenyl)-3-N,6-N-bis(1-methylimidazol-2-yl)-3-N,6-N-diphenyl-4,5-dihydrocarbazole-4,5-diide-3,6-diamine;platinum(2+) has a molecular weight of 796.77 g/mol, XLogP of 8.93, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-fluorophenyl)-3-N,6-N-bis(1-methylimidazol-2-yl)-3-N,6-N-diphenyl-4,5-dihydrocarbazole-4,5-diide-3,6-diamine;platinum(2+) is sourced from PubChem (CID 153433462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).