5-[4-[2-phenyl-6-(trifluoromethoxy)benzimidazol-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole

C38H22F3N3O2 — CID 90327172

IUPAC5-[4-[2-phenyl-6-(trifluoromethoxy)benzimidazol-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESFC(F)(F)Oc1ccc2nc(-c3ccccc3)n(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3)c2c1
InChIInChI=1S/C38H22F3N3O2/c39-38(40,41)46-26-18-20-30-33(22-26)44(37(42-30)23-8-2-1-3-9-23)25-16-14-24(15-17-25)43-31-12-6-4-11-29(31)35-32(43)21-19-28-27-10-5-7-13-34(27)45-36(28)35/h1-22H
InChIKeyHVXCANLIXAULJE-UHFFFAOYSA-N
MW609.61 g/mol
LogP10.59
Rot. Bonds4

About 5-[4-[2-phenyl-6-(trifluoromethoxy)benzimidazol-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole

5-[4-[2-phenyl-6-(trifluoromethoxy)benzimidazol-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 90327172) has the molecular formula C38H22F3N3O2 and a molecular weight of 609.61 g/mol. Its IUPAC name is 5-[4-[2-phenyl-6-(trifluoromethoxy)benzimidazol-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-[4-[2-phenyl-6-(trifluoromethoxy)benzimidazol-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
PubChem CID90327172
Molecular FormulaC38H22F3N3O2
Molecular Weight609.61 g/mol
Exact Mass609.17
IUPAC Name5-[4-[2-phenyl-6-(trifluoromethoxy)benzimidazol-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESFC(F)(F)Oc1ccc2nc(-c3ccccc3)n(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3)c2c1
InChIInChI=1S/C38H22F3N3O2/c39-38(40,41)46-26-18-20-30-33(22-26)44(37(42-30)23-8-2-1-3-9-23)25-16-14-24(15-17-25)43-31-12-6-4-11-29(31)35-32(43)21-19-28-27-10-5-7-13-34(27)45-36(28)35/h1-22H
InChIKeyHVXCANLIXAULJE-UHFFFAOYSA-N
XLogP10.59
TPSA45.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.61
LogP ≤ 510.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-phenyl-6-(trifluoromethoxy)benzimidazol-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-[4-[2-phenyl-6-(trifluoromethoxy)benzimidazol-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole (CID 90327172) is 5-[4-[2-phenyl-6-(trifluoromethoxy)benzimidazol-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-[4-[2-phenyl-6-(trifluoromethoxy)benzimidazol-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-[4-[2-phenyl-6-(trifluoromethoxy)benzimidazol-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole is FC(F)(F)Oc1ccc2nc(-c3ccccc3)n(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3)c2c1.
What is the InChIKey of 5-[4-[2-phenyl-6-(trifluoromethoxy)benzimidazol-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is HVXCANLIXAULJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22F3N3O2/c39-38(40,41)46-26-18-20-30-33(22-26)44(37(42-30)23-8-2-1-3-9-23)25-16-14-24(15-17-25)43-31-12-6-4-11-29(31)35-32(43)21-19-28-27-10-5-7-13-34(27)45-36(28)35/h1-22H.
What are the key properties of 5-[4-[2-phenyl-6-(trifluoromethoxy)benzimidazol-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole?
5-[4-[2-phenyl-6-(trifluoromethoxy)benzimidazol-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 609.61 g/mol, XLogP of 10.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-phenyl-6-(trifluoromethoxy)benzimidazol-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 90327172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).