2,10-difluoro-6-[3-(1,2,4-triazol-1-yl)propoxy]-5,7,8,9-tetrahydroindolo[2,3-b]carbazole

C23H19F2N5O — CID 70957528

IUPAC2,10-difluoro-6-[3-(1,2,4-triazol-1-yl)propoxy]-5,7,8,9-tetrahydroindolo[2,3-b]carbazole
SMILESFC1=Cc2c([nH]c3c(OCCCn4cncn4)c4[nH]c5ccc(F)cc5c4cc23)CC1
InChIInChI=1S/C23H19F2N5O/c24-13-2-4-19-15(8-13)17-10-18-16-9-14(25)3-5-20(16)29-22(18)23(21(17)28-19)31-7-1-6-30-12-26-11-27-30/h2,4,8-12,28-29H,1,3,5-7H2
InChIKeyGIBDXBSUIAHIJR-UHFFFAOYSA-N
MW419.44 g/mol
LogP5.26
Rot. Bonds5

About 2,10-difluoro-6-[3-(1,2,4-triazol-1-yl)propoxy]-5,7,8,9-tetrahydroindolo[2,3-b]carbazole

2,10-difluoro-6-[3-(1,2,4-triazol-1-yl)propoxy]-5,7,8,9-tetrahydroindolo[2,3-b]carbazole (PubChem CID 70957528) has the molecular formula C23H19F2N5O and a molecular weight of 419.44 g/mol. Its IUPAC name is 2,10-difluoro-6-[3-(1,2,4-triazol-1-yl)propoxy]-5,7,8,9-tetrahydroindolo[2,3-b]carbazole.

Molecular Properties

Compound Name2,10-difluoro-6-[3-(1,2,4-triazol-1-yl)propoxy]-5,7,8,9-tetrahydroindolo[2,3-b]carbazole
PubChem CID70957528
Molecular FormulaC23H19F2N5O
Molecular Weight419.44 g/mol
Exact Mass419.16
IUPAC Name2,10-difluoro-6-[3-(1,2,4-triazol-1-yl)propoxy]-5,7,8,9-tetrahydroindolo[2,3-b]carbazole
SMILESFC1=Cc2c([nH]c3c(OCCCn4cncn4)c4[nH]c5ccc(F)cc5c4cc23)CC1
InChIInChI=1S/C23H19F2N5O/c24-13-2-4-19-15(8-13)17-10-18-16-9-14(25)3-5-20(16)29-22(18)23(21(17)28-19)31-7-1-6-30-12-26-11-27-30/h2,4,8-12,28-29H,1,3,5-7H2
InChIKeyGIBDXBSUIAHIJR-UHFFFAOYSA-N
XLogP5.26
TPSA71.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.44
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,10-difluoro-6-[3-(1,2,4-triazol-1-yl)propoxy]-5,7,8,9-tetrahydroindolo[2,3-b]carbazole?
The IUPAC name of 2,10-difluoro-6-[3-(1,2,4-triazol-1-yl)propoxy]-5,7,8,9-tetrahydroindolo[2,3-b]carbazole (CID 70957528) is 2,10-difluoro-6-[3-(1,2,4-triazol-1-yl)propoxy]-5,7,8,9-tetrahydroindolo[2,3-b]carbazole.
What is the SMILES notation for 2,10-difluoro-6-[3-(1,2,4-triazol-1-yl)propoxy]-5,7,8,9-tetrahydroindolo[2,3-b]carbazole?
The canonical SMILES for 2,10-difluoro-6-[3-(1,2,4-triazol-1-yl)propoxy]-5,7,8,9-tetrahydroindolo[2,3-b]carbazole is FC1=Cc2c([nH]c3c(OCCCn4cncn4)c4[nH]c5ccc(F)cc5c4cc23)CC1.
What is the InChIKey of 2,10-difluoro-6-[3-(1,2,4-triazol-1-yl)propoxy]-5,7,8,9-tetrahydroindolo[2,3-b]carbazole?
The InChIKey is GIBDXBSUIAHIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N5O/c24-13-2-4-19-15(8-13)17-10-18-16-9-14(25)3-5-20(16)29-22(18)23(21(17)28-19)31-7-1-6-30-12-26-11-27-30/h2,4,8-12,28-29H,1,3,5-7H2.
What are the key properties of 2,10-difluoro-6-[3-(1,2,4-triazol-1-yl)propoxy]-5,7,8,9-tetrahydroindolo[2,3-b]carbazole?
2,10-difluoro-6-[3-(1,2,4-triazol-1-yl)propoxy]-5,7,8,9-tetrahydroindolo[2,3-b]carbazole has a molecular weight of 419.44 g/mol, XLogP of 5.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-difluoro-6-[3-(1,2,4-triazol-1-yl)propoxy]-5,7,8,9-tetrahydroindolo[2,3-b]carbazole is sourced from PubChem (CID 70957528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).