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

C23H17F2N5O — CID 59238909

IUPAC2,10-difluoro-6-[3-(1,2,4-triazol-4-yl)propoxy]-5,7-dihydroindolo[2,3-b]carbazole
SMILESFc1ccc2[nH]c3c(OCCCn4cnnc4)c4[nH]c5ccc(F)cc5c4cc3c2c1
InChIInChI=1S/C23H17F2N5O/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)31-7-1-6-30-11-26-27-12-30/h2-5,8-12,28-29H,1,6-7H2
InChIKeyPJIDXMKLXHROGW-UHFFFAOYSA-N
MW417.42 g/mol
LogP5.29
Rot. Bonds5

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

2,10-difluoro-6-[3-(1,2,4-triazol-4-yl)propoxy]-5,7-dihydroindolo[2,3-b]carbazole (PubChem CID 59238909) has the molecular formula C23H17F2N5O and a molecular weight of 417.42 g/mol. Its IUPAC name is 2,10-difluoro-6-[3-(1,2,4-triazol-4-yl)propoxy]-5,7-dihydroindolo[2,3-b]carbazole.

Molecular Properties

Compound Name2,10-difluoro-6-[3-(1,2,4-triazol-4-yl)propoxy]-5,7-dihydroindolo[2,3-b]carbazole
PubChem CID59238909
Molecular FormulaC23H17F2N5O
Molecular Weight417.42 g/mol
Exact Mass417.14
IUPAC Name2,10-difluoro-6-[3-(1,2,4-triazol-4-yl)propoxy]-5,7-dihydroindolo[2,3-b]carbazole
SMILESFc1ccc2[nH]c3c(OCCCn4cnnc4)c4[nH]c5ccc(F)cc5c4cc3c2c1
InChIInChI=1S/C23H17F2N5O/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)31-7-1-6-30-11-26-27-12-30/h2-5,8-12,28-29H,1,6-7H2
InChIKeyPJIDXMKLXHROGW-UHFFFAOYSA-N
XLogP5.29
TPSA71.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.42
LogP ≤ 55.29
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-4-yl)propoxy]-5,7-dihydroindolo[2,3-b]carbazole?
The IUPAC name of 2,10-difluoro-6-[3-(1,2,4-triazol-4-yl)propoxy]-5,7-dihydroindolo[2,3-b]carbazole (CID 59238909) is 2,10-difluoro-6-[3-(1,2,4-triazol-4-yl)propoxy]-5,7-dihydroindolo[2,3-b]carbazole.
What is the SMILES notation for 2,10-difluoro-6-[3-(1,2,4-triazol-4-yl)propoxy]-5,7-dihydroindolo[2,3-b]carbazole?
The canonical SMILES for 2,10-difluoro-6-[3-(1,2,4-triazol-4-yl)propoxy]-5,7-dihydroindolo[2,3-b]carbazole is Fc1ccc2[nH]c3c(OCCCn4cnnc4)c4[nH]c5ccc(F)cc5c4cc3c2c1.
What is the InChIKey of 2,10-difluoro-6-[3-(1,2,4-triazol-4-yl)propoxy]-5,7-dihydroindolo[2,3-b]carbazole?
The InChIKey is PJIDXMKLXHROGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N5O/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)31-7-1-6-30-11-26-27-12-30/h2-5,8-12,28-29H,1,6-7H2.
What are the key properties of 2,10-difluoro-6-[3-(1,2,4-triazol-4-yl)propoxy]-5,7-dihydroindolo[2,3-b]carbazole?
2,10-difluoro-6-[3-(1,2,4-triazol-4-yl)propoxy]-5,7-dihydroindolo[2,3-b]carbazole has a molecular weight of 417.42 g/mol, XLogP of 5.29, 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-4-yl)propoxy]-5,7-dihydroindolo[2,3-b]carbazole is sourced from PubChem (CID 59238909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).