9,9-difluoro-3-[1-phenyl-2-(5-phenyl-9H-carbazol-1-yl)benzimidazol-4-yl]-10-pyridin-2-ylacridine

C49H31F2N5 — CID 176643075

IUPAC9,9-difluoro-3-[1-phenyl-2-(5-phenyl-9H-carbazol-1-yl)benzimidazol-4-yl]-10-pyridin-2-ylacridine
SMILESFC1(F)c2ccccc2N(c2ccccn2)c2cc(-c3cccc4c3nc(-c3cccc5c3[nH]c3cccc(-c6ccccc6)c35)n4-c3ccccc3)ccc21
InChIInChI=1S/C49H31F2N5/c50-49(51)38-22-7-8-24-41(38)56(44-26-9-10-29-52-44)43-30-32(27-28-39(43)49)35-19-13-25-42-47(35)54-48(55(42)33-16-5-2-6-17-33)37-21-11-20-36-45-34(31-14-3-1-4-15-31)18-12-23-40(45)53-46(36)37/h1-30,53H
InChIKeyULGUDYIYJVSLAA-UHFFFAOYSA-N
MW727.82 g/mol
LogP12.98
Rot. Bonds5

About 9,9-difluoro-3-[1-phenyl-2-(5-phenyl-9H-carbazol-1-yl)benzimidazol-4-yl]-10-pyridin-2-ylacridine

9,9-difluoro-3-[1-phenyl-2-(5-phenyl-9H-carbazol-1-yl)benzimidazol-4-yl]-10-pyridin-2-ylacridine (PubChem CID 176643075) has the molecular formula C49H31F2N5 and a molecular weight of 727.82 g/mol. Its IUPAC name is 9,9-difluoro-3-[1-phenyl-2-(5-phenyl-9H-carbazol-1-yl)benzimidazol-4-yl]-10-pyridin-2-ylacridine.

Molecular Properties

Compound Name9,9-difluoro-3-[1-phenyl-2-(5-phenyl-9H-carbazol-1-yl)benzimidazol-4-yl]-10-pyridin-2-ylacridine
PubChem CID176643075
Molecular FormulaC49H31F2N5
Molecular Weight727.82 g/mol
Exact Mass727.25
IUPAC Name9,9-difluoro-3-[1-phenyl-2-(5-phenyl-9H-carbazol-1-yl)benzimidazol-4-yl]-10-pyridin-2-ylacridine
SMILESFC1(F)c2ccccc2N(c2ccccn2)c2cc(-c3cccc4c3nc(-c3cccc5c3[nH]c3cccc(-c6ccccc6)c35)n4-c3ccccc3)ccc21
InChIInChI=1S/C49H31F2N5/c50-49(51)38-22-7-8-24-41(38)56(44-26-9-10-29-52-44)43-30-32(27-28-39(43)49)35-19-13-25-42-47(35)54-48(55(42)33-16-5-2-6-17-33)37-21-11-20-36-45-34(31-14-3-1-4-15-31)18-12-23-40(45)53-46(36)37/h1-30,53H
InChIKeyULGUDYIYJVSLAA-UHFFFAOYSA-N
XLogP12.98
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.82
LogP ≤ 512.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 11341558
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Frequently Asked Questions

What is the IUPAC name of 9,9-difluoro-3-[1-phenyl-2-(5-phenyl-9H-carbazol-1-yl)benzimidazol-4-yl]-10-pyridin-2-ylacridine?
The IUPAC name of 9,9-difluoro-3-[1-phenyl-2-(5-phenyl-9H-carbazol-1-yl)benzimidazol-4-yl]-10-pyridin-2-ylacridine (CID 176643075) is 9,9-difluoro-3-[1-phenyl-2-(5-phenyl-9H-carbazol-1-yl)benzimidazol-4-yl]-10-pyridin-2-ylacridine.
What is the SMILES notation for 9,9-difluoro-3-[1-phenyl-2-(5-phenyl-9H-carbazol-1-yl)benzimidazol-4-yl]-10-pyridin-2-ylacridine?
The canonical SMILES for 9,9-difluoro-3-[1-phenyl-2-(5-phenyl-9H-carbazol-1-yl)benzimidazol-4-yl]-10-pyridin-2-ylacridine is FC1(F)c2ccccc2N(c2ccccn2)c2cc(-c3cccc4c3nc(-c3cccc5c3[nH]c3cccc(-c6ccccc6)c35)n4-c3ccccc3)ccc21.
What is the InChIKey of 9,9-difluoro-3-[1-phenyl-2-(5-phenyl-9H-carbazol-1-yl)benzimidazol-4-yl]-10-pyridin-2-ylacridine?
The InChIKey is ULGUDYIYJVSLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31F2N5/c50-49(51)38-22-7-8-24-41(38)56(44-26-9-10-29-52-44)43-30-32(27-28-39(43)49)35-19-13-25-42-47(35)54-48(55(42)33-16-5-2-6-17-33)37-21-11-20-36-45-34(31-14-3-1-4-15-31)18-12-23-40(45)53-46(36)37/h1-30,53H.
What are the key properties of 9,9-difluoro-3-[1-phenyl-2-(5-phenyl-9H-carbazol-1-yl)benzimidazol-4-yl]-10-pyridin-2-ylacridine?
9,9-difluoro-3-[1-phenyl-2-(5-phenyl-9H-carbazol-1-yl)benzimidazol-4-yl]-10-pyridin-2-ylacridine has a molecular weight of 727.82 g/mol, XLogP of 12.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-difluoro-3-[1-phenyl-2-(5-phenyl-9H-carbazol-1-yl)benzimidazol-4-yl]-10-pyridin-2-ylacridine is sourced from PubChem (CID 176643075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).