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

C23H18F2N6O — CID 70812257

IUPAC2,10-difluoro-6-[3-(5-methyltetrazol-1-yl)propoxy]-5,7-dihydroindolo[2,3-b]carbazole
SMILESCc1nnnn1CCCOc1c2[nH]c3ccc(F)cc3c2cc2c1[nH]c1ccc(F)cc12
InChIInChI=1S/C23H18F2N6O/c1-12-28-29-30-31(12)7-2-8-32-23-21-17(15-9-13(24)3-5-19(15)26-21)11-18-16-10-14(25)4-6-20(16)27-22(18)23/h3-6,9-11,26-27H,2,7-8H2,1H3
InChIKeyYGZXCBRXDTXFFP-UHFFFAOYSA-N
MW432.43 g/mol
LogP5.00
Rot. Bonds5

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

2,10-difluoro-6-[3-(5-methyltetrazol-1-yl)propoxy]-5,7-dihydroindolo[2,3-b]carbazole (PubChem CID 70812257) has the molecular formula C23H18F2N6O and a molecular weight of 432.43 g/mol. Its IUPAC name is 2,10-difluoro-6-[3-(5-methyltetrazol-1-yl)propoxy]-5,7-dihydroindolo[2,3-b]carbazole.

Molecular Properties

Compound Name2,10-difluoro-6-[3-(5-methyltetrazol-1-yl)propoxy]-5,7-dihydroindolo[2,3-b]carbazole
PubChem CID70812257
Molecular FormulaC23H18F2N6O
Molecular Weight432.43 g/mol
Exact Mass432.15
IUPAC Name2,10-difluoro-6-[3-(5-methyltetrazol-1-yl)propoxy]-5,7-dihydroindolo[2,3-b]carbazole
SMILESCc1nnnn1CCCOc1c2[nH]c3ccc(F)cc3c2cc2c1[nH]c1ccc(F)cc12
InChIInChI=1S/C23H18F2N6O/c1-12-28-29-30-31(12)7-2-8-32-23-21-17(15-9-13(24)3-5-19(15)26-21)11-18-16-10-14(25)4-6-20(16)27-22(18)23/h3-6,9-11,26-27H,2,7-8H2,1H3
InChIKeyYGZXCBRXDTXFFP-UHFFFAOYSA-N
XLogP5.00
TPSA84.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.43
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(5-methyltetrazol-1-yl)propoxy]-5,7-dihydroindolo[2,3-b]carbazole?
The IUPAC name of 2,10-difluoro-6-[3-(5-methyltetrazol-1-yl)propoxy]-5,7-dihydroindolo[2,3-b]carbazole (CID 70812257) is 2,10-difluoro-6-[3-(5-methyltetrazol-1-yl)propoxy]-5,7-dihydroindolo[2,3-b]carbazole.
What is the SMILES notation for 2,10-difluoro-6-[3-(5-methyltetrazol-1-yl)propoxy]-5,7-dihydroindolo[2,3-b]carbazole?
The canonical SMILES for 2,10-difluoro-6-[3-(5-methyltetrazol-1-yl)propoxy]-5,7-dihydroindolo[2,3-b]carbazole is Cc1nnnn1CCCOc1c2[nH]c3ccc(F)cc3c2cc2c1[nH]c1ccc(F)cc12.
What is the InChIKey of 2,10-difluoro-6-[3-(5-methyltetrazol-1-yl)propoxy]-5,7-dihydroindolo[2,3-b]carbazole?
The InChIKey is YGZXCBRXDTXFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N6O/c1-12-28-29-30-31(12)7-2-8-32-23-21-17(15-9-13(24)3-5-19(15)26-21)11-18-16-10-14(25)4-6-20(16)27-22(18)23/h3-6,9-11,26-27H,2,7-8H2,1H3.
What are the key properties of 2,10-difluoro-6-[3-(5-methyltetrazol-1-yl)propoxy]-5,7-dihydroindolo[2,3-b]carbazole?
2,10-difluoro-6-[3-(5-methyltetrazol-1-yl)propoxy]-5,7-dihydroindolo[2,3-b]carbazole has a molecular weight of 432.43 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-difluoro-6-[3-(5-methyltetrazol-1-yl)propoxy]-5,7-dihydroindolo[2,3-b]carbazole is sourced from PubChem (CID 70812257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).