1-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]imidazol-1-ium

C38H25N4+ — CID 176537326

About 1-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]imidazol-1-ium

1-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]imidazol-1-ium (PubChem CID 176537326) has the molecular formula C38H25N4+ and a molecular weight of 537.65 g/mol. Its IUPAC name is 1-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]imidazol-1-ium.

Molecular Properties

• Compound Name: 1-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]imidazol-1-ium
• PubChem CID: 176537326
• Molecular Formula: C38H25N4+
• Molecular Weight: 537.65 g/mol
• Exact Mass: 537.21
• IUPAC Name: 1-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]imidazol-1-ium
• SMILES: C1=NC=C[N+]=1C1(c2cccc(C3(c4ccn[nH]4)c4ccccc4-c4ccccc43)c2)c2ccccc2-c2ccccc21
• InChI: InChI=1S/C38H25N4/c1-5-16-32-28(12-1)29-13-2-6-17-33(29)37(32,36-20-21-40-41-36)26-10-9-11-27(24-26)38(42-23-22-39-25-42)34-18-7-3-14-30(34)31-15-4-8-19-35(31)38/h1-24H,(H,40,41)/q+1
• InChIKey: BPWVDDAIAZLLBU-UHFFFAOYSA-N
• XLogP: 7.72
• TPSA: 44.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.65
LogP ≤ 5	7.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]imidazol-1-ium?

The IUPAC name of 1-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]imidazol-1-ium (CID 176537326) is 1-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]imidazol-1-ium.

What is the SMILES notation for 1-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]imidazol-1-ium?

The canonical SMILES for 1-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]imidazol-1-ium is C1=NC=C[N+]=1C1(c2cccc(C3(c4ccn[nH]4)c4ccccc4-c4ccccc43)c2)c2ccccc2-c2ccccc21.

What is the InChIKey of 1-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]imidazol-1-ium?

The InChIKey is BPWVDDAIAZLLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N4/c1-5-16-32-28(12-1)29-13-2-6-17-33(29)37(32,36-20-21-40-41-36)26-10-9-11-27(24-26)38(42-23-22-39-25-42)34-18-7-3-14-30(34)31-15-4-8-19-35(31)38/h1-24H,(H,40,41)/q+1.

What are the key properties of 1-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]imidazol-1-ium?

1-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]imidazol-1-ium has a molecular weight of 537.65 g/mol, XLogP of 7.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]imidazol-1-ium is sourced from PubChem (CID 176537326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).