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

C38H22F3N3O — CID 90327196

IUPAC5-[4-[2-phenyl-6-(trifluoromethyl)benzimidazol-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESFC(F)(F)c1ccc2nc(-c3ccccc3)n(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3)c2c1
InChIInChI=1S/C38H22F3N3O/c39-38(40,41)24-14-20-30-33(22-24)44(37(42-30)23-8-2-1-3-9-23)26-17-15-25(16-18-26)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
InChIKeyGZFCKXATOBFEID-UHFFFAOYSA-N
MW593.61 g/mol
LogP10.71
Rot. Bonds3

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

5-[4-[2-phenyl-6-(trifluoromethyl)benzimidazol-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 90327196) has the molecular formula C38H22F3N3O and a molecular weight of 593.61 g/mol. Its IUPAC name is 5-[4-[2-phenyl-6-(trifluoromethyl)benzimidazol-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-[4-[2-phenyl-6-(trifluoromethyl)benzimidazol-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
PubChem CID90327196
Molecular FormulaC38H22F3N3O
Molecular Weight593.61 g/mol
Exact Mass593.17
IUPAC Name5-[4-[2-phenyl-6-(trifluoromethyl)benzimidazol-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESFC(F)(F)c1ccc2nc(-c3ccccc3)n(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3)c2c1
InChIInChI=1S/C38H22F3N3O/c39-38(40,41)24-14-20-30-33(22-24)44(37(42-30)23-8-2-1-3-9-23)26-17-15-25(16-18-26)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
InChIKeyGZFCKXATOBFEID-UHFFFAOYSA-N
XLogP10.71
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.61
LogP ≤ 510.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-phenyl-6-(trifluoromethyl)benzimidazol-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-[4-[2-phenyl-6-(trifluoromethyl)benzimidazol-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole (CID 90327196) is 5-[4-[2-phenyl-6-(trifluoromethyl)benzimidazol-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-[4-[2-phenyl-6-(trifluoromethyl)benzimidazol-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-[4-[2-phenyl-6-(trifluoromethyl)benzimidazol-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole is FC(F)(F)c1ccc2nc(-c3ccccc3)n(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3)c2c1.
What is the InChIKey of 5-[4-[2-phenyl-6-(trifluoromethyl)benzimidazol-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is GZFCKXATOBFEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22F3N3O/c39-38(40,41)24-14-20-30-33(22-24)44(37(42-30)23-8-2-1-3-9-23)26-17-15-25(16-18-26)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-(trifluoromethyl)benzimidazol-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole?
5-[4-[2-phenyl-6-(trifluoromethyl)benzimidazol-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 593.61 g/mol, XLogP of 10.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-phenyl-6-(trifluoromethyl)benzimidazol-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 90327196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).