2-[4-(9H-fluoren-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole

C₄₁H₂₅F₃N₂ — CID 171770856

About 2-[4-(9H-fluoren-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole

2-[4-(9H-fluoren-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole (PubChem CID 171770856) has the molecular formula C₄₁H₂₅F₃N₂ and a molecular weight of 602.66 g/mol. Its IUPAC name is 2-[4-(9H-fluoren-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole.

Molecular Properties

• Compound Name: 2-[4-(9H-fluoren-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole
• PubChem CID: 171770856
• Molecular Formula: C₄₁H₂₅F₃N₂
• Molecular Weight: 602.66 g/mol
• Exact Mass: 602.20
• IUPAC Name: 2-[4-(9H-fluoren-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole
• SMILES: FC(F)(F)c1ccc(-n2c(-c3ccc(-c4ccc5c(c4)Cc4ccccc4-5)cc3)nc3c4ccccc4c4ccccc4c32)cc1
• InChI: InChI=1S/C41H25F3N2/c42-41(43,44)30-18-20-31(21-19-30)46-39-37-12-6-4-10-35(37)34-9-3-5-11-36(34)38(39)45-40(46)26-15-13-25(14-16-26)27-17-22-33-29(23-27)24-28-7-1-2-8-32(28)33/h1-23H,24H2
• InChIKey: MBIZCUJOKWPFEI-UHFFFAOYSA-N
• XLogP: 11.26
• TPSA: 17.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	602.66
LogP ≤ 5	11.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9H-fluoren-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole?

The IUPAC name of 2-[4-(9H-fluoren-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole (CID 171770856) is 2-[4-(9H-fluoren-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole.

What is the SMILES notation for 2-[4-(9H-fluoren-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole?

The canonical SMILES for 2-[4-(9H-fluoren-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole is FC(F)(F)c1ccc(-n2c(-c3ccc(-c4ccc5c(c4)Cc4ccccc4-5)cc3)nc3c4ccccc4c4ccccc4c32)cc1.

What is the InChIKey of 2-[4-(9H-fluoren-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole?

The InChIKey is MBIZCUJOKWPFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25F3N2/c42-41(43,44)30-18-20-31(21-19-30)46-39-37-12-6-4-10-35(37)34-9-3-5-11-36(34)38(39)45-40(46)26-15-13-25(14-16-26)27-17-22-33-29(23-27)24-28-7-1-2-8-32(28)33/h1-23H,24H2.

What are the key properties of 2-[4-(9H-fluoren-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole?

2-[4-(9H-fluoren-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole has a molecular weight of 602.66 g/mol, XLogP of 11.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(9H-fluoren-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole is sourced from PubChem (CID 171770856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 171770856 — identifiers, structure, computed properties (public domain)

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