6-bromo-2-(2-chloro-6-fluorophenyl)-9-propan-2-yl-1H-phenanthro[9,10-d]imidazole

C24H17BrClFN2 — CID 24861261

IUPAC6-bromo-2-(2-chloro-6-fluorophenyl)-9-propan-2-yl-1H-phenanthro[9,10-d]imidazole
SMILESCC(C)c1ccc2c(c1)c1cc(Br)ccc1c1nc(-c3c(F)cccc3Cl)[nH]c21
InChIInChI=1S/C24H17BrClFN2/c1-12(2)13-6-8-15-17(10-13)18-11-14(25)7-9-16(18)23-22(15)28-24(29-23)21-19(26)4-3-5-20(21)27/h3-12H,1-2H3,(H,28,29)
InChIKeyIFJAWEKHAKFJAP-UHFFFAOYSA-N
MW467.77 g/mol
LogP8.21
Rot. Bonds2

About 6-bromo-2-(2-chloro-6-fluorophenyl)-9-propan-2-yl-1H-phenanthro[9,10-d]imidazole

6-bromo-2-(2-chloro-6-fluorophenyl)-9-propan-2-yl-1H-phenanthro[9,10-d]imidazole (PubChem CID 24861261) has the molecular formula C24H17BrClFN2 and a molecular weight of 467.77 g/mol. Its IUPAC name is 6-bromo-2-(2-chloro-6-fluorophenyl)-9-propan-2-yl-1H-phenanthro[9,10-d]imidazole.

Molecular Properties

Compound Name6-bromo-2-(2-chloro-6-fluorophenyl)-9-propan-2-yl-1H-phenanthro[9,10-d]imidazole
PubChem CID24861261
Molecular FormulaC24H17BrClFN2
Molecular Weight467.77 g/mol
Exact Mass466.02
IUPAC Name6-bromo-2-(2-chloro-6-fluorophenyl)-9-propan-2-yl-1H-phenanthro[9,10-d]imidazole
SMILESCC(C)c1ccc2c(c1)c1cc(Br)ccc1c1nc(-c3c(F)cccc3Cl)[nH]c21
InChIInChI=1S/C24H17BrClFN2/c1-12(2)13-6-8-15-17(10-13)18-11-14(25)7-9-16(18)23-22(15)28-24(29-23)21-19(26)4-3-5-20(21)27/h3-12H,1-2H3,(H,28,29)
InChIKeyIFJAWEKHAKFJAP-UHFFFAOYSA-N
XLogP8.21
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.77
LogP ≤ 58.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-chloro-6-fluorophenyl)-9-propan-2-yl-1H-phenanthro[9,10-d]imidazole?
The IUPAC name of 6-bromo-2-(2-chloro-6-fluorophenyl)-9-propan-2-yl-1H-phenanthro[9,10-d]imidazole (CID 24861261) is 6-bromo-2-(2-chloro-6-fluorophenyl)-9-propan-2-yl-1H-phenanthro[9,10-d]imidazole.
What is the SMILES notation for 6-bromo-2-(2-chloro-6-fluorophenyl)-9-propan-2-yl-1H-phenanthro[9,10-d]imidazole?
The canonical SMILES for 6-bromo-2-(2-chloro-6-fluorophenyl)-9-propan-2-yl-1H-phenanthro[9,10-d]imidazole is CC(C)c1ccc2c(c1)c1cc(Br)ccc1c1nc(-c3c(F)cccc3Cl)[nH]c21.
What is the InChIKey of 6-bromo-2-(2-chloro-6-fluorophenyl)-9-propan-2-yl-1H-phenanthro[9,10-d]imidazole?
The InChIKey is IFJAWEKHAKFJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrClFN2/c1-12(2)13-6-8-15-17(10-13)18-11-14(25)7-9-16(18)23-22(15)28-24(29-23)21-19(26)4-3-5-20(21)27/h3-12H,1-2H3,(H,28,29).
What are the key properties of 6-bromo-2-(2-chloro-6-fluorophenyl)-9-propan-2-yl-1H-phenanthro[9,10-d]imidazole?
6-bromo-2-(2-chloro-6-fluorophenyl)-9-propan-2-yl-1H-phenanthro[9,10-d]imidazole has a molecular weight of 467.77 g/mol, XLogP of 8.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-chloro-6-fluorophenyl)-9-propan-2-yl-1H-phenanthro[9,10-d]imidazole is sourced from PubChem (CID 24861261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).