2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole-6-carbonitrile

C19H9F2N3 — CID 70812252

IUPAC2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole-6-carbonitrile
SMILESN#Cc1c2[nH]c3ccc(F)cc3c2cc2c1[nH]c1ccc(F)cc12
InChIInChI=1S/C19H9F2N3/c20-9-1-3-16-11(5-9)13-7-14-12-6-10(21)2-4-17(12)24-19(14)15(8-22)18(13)23-16/h1-7,23-24H
InChIKeyYAKNRDMPSGROPY-UHFFFAOYSA-N
MW317.30 g/mol
LogP5.11
Rot. Bonds

About 2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole-6-carbonitrile

2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole-6-carbonitrile (PubChem CID 70812252) has the molecular formula C19H9F2N3 and a molecular weight of 317.30 g/mol. Its IUPAC name is 2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole-6-carbonitrile.

Molecular Properties

Compound Name2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole-6-carbonitrile
PubChem CID70812252
Molecular FormulaC19H9F2N3
Molecular Weight317.30 g/mol
Exact Mass317.08
IUPAC Name2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole-6-carbonitrile
SMILESN#Cc1c2[nH]c3ccc(F)cc3c2cc2c1[nH]c1ccc(F)cc12
InChIInChI=1S/C19H9F2N3/c20-9-1-3-16-11(5-9)13-7-14-12-6-10(21)2-4-17(12)24-19(14)15(8-22)18(13)23-16/h1-7,23-24H
InChIKeyYAKNRDMPSGROPY-UHFFFAOYSA-N
XLogP5.11
TPSA55.37 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.30
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole-6-carbonitrile?
The IUPAC name of 2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole-6-carbonitrile (CID 70812252) is 2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole-6-carbonitrile.
What is the SMILES notation for 2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole-6-carbonitrile?
The canonical SMILES for 2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole-6-carbonitrile is N#Cc1c2[nH]c3ccc(F)cc3c2cc2c1[nH]c1ccc(F)cc12.
What is the InChIKey of 2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole-6-carbonitrile?
The InChIKey is YAKNRDMPSGROPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9F2N3/c20-9-1-3-16-11(5-9)13-7-14-12-6-10(21)2-4-17(12)24-19(14)15(8-22)18(13)23-16/h1-7,23-24H.
What are the key properties of 2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole-6-carbonitrile?
2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole-6-carbonitrile has a molecular weight of 317.30 g/mol, XLogP of 5.11, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole-6-carbonitrile is sourced from PubChem (CID 70812252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).