9-octyl-2-(2H-tetrazol-5-ylmethoxy)carbazole

C22H27N5O — CID 56673053

IUPAC9-octyl-2-(2H-tetrazol-5-ylmethoxy)carbazole
SMILESCCCCCCCCn1c2ccccc2c2ccc(OCc3nn[nH]n3)cc21
InChIInChI=1S/C22H27N5O/c1-2-3-4-5-6-9-14-27-20-11-8-7-10-18(20)19-13-12-17(15-21(19)27)28-16-22-23-25-26-24-22/h7-8,10-13,15H,2-6,9,14,16H2,1H3,(H,23,24,25,26)
InChIKeyZSBKJRHVOWOVJM-UHFFFAOYSA-N
MW377.49 g/mol
LogP5.25
Rot. Bonds10

About 9-octyl-2-(2H-tetrazol-5-ylmethoxy)carbazole

9-octyl-2-(2H-tetrazol-5-ylmethoxy)carbazole (PubChem CID 56673053) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 9-octyl-2-(2H-tetrazol-5-ylmethoxy)carbazole.

Molecular Properties

Compound Name9-octyl-2-(2H-tetrazol-5-ylmethoxy)carbazole
PubChem CID56673053
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name9-octyl-2-(2H-tetrazol-5-ylmethoxy)carbazole
SMILESCCCCCCCCn1c2ccccc2c2ccc(OCc3nn[nH]n3)cc21
InChIInChI=1S/C22H27N5O/c1-2-3-4-5-6-9-14-27-20-11-8-7-10-18(20)19-13-12-17(15-21(19)27)28-16-22-23-25-26-24-22/h7-8,10-13,15H,2-6,9,14,16H2,1H3,(H,23,24,25,26)
InChIKeyZSBKJRHVOWOVJM-UHFFFAOYSA-N
XLogP5.25
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.49
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-dodecoxy-9-dodecylcarbazole
CID 15163810
9-octadecyl-2-octoxycarbazole
CID 15163807
2-octoxy-9-octylcarbazole
CID 15163804
N,N-dimethyl-2-(9-octylcarbazol-2-yl)oxyethanamine
CID 56676367
tert-butyl 2-(9-octylcarbazol-2-yl)oxyacetate
CID 56659253
9-hexadecylcarbazole
CID 4166588
9-docosylcarbazole
CID 10528568
bis(9-hexylcarbazol-2-yl) benzene-1,4-dicarboxylate
CID 175601220
benzene;9-octylcarbazole
CID 175067369
9-hexyl-2,7-bis[(E)-2-(9-hexylcarbazol-2-yl)ethenyl]carbazole
CID 58937439
9-octyl-3-[5-(9-octylcarbazol-3-yl)-3-pyridinyl]carbazole
CID 122216627
9-octylcarbazole-2-carbaldehyde
CID 71623415

Frequently Asked Questions

What is the IUPAC name of 9-octyl-2-(2H-tetrazol-5-ylmethoxy)carbazole?
The IUPAC name of 9-octyl-2-(2H-tetrazol-5-ylmethoxy)carbazole (CID 56673053) is 9-octyl-2-(2H-tetrazol-5-ylmethoxy)carbazole.
What is the SMILES notation for 9-octyl-2-(2H-tetrazol-5-ylmethoxy)carbazole?
The canonical SMILES for 9-octyl-2-(2H-tetrazol-5-ylmethoxy)carbazole is CCCCCCCCn1c2ccccc2c2ccc(OCc3nn[nH]n3)cc21.
What is the InChIKey of 9-octyl-2-(2H-tetrazol-5-ylmethoxy)carbazole?
The InChIKey is ZSBKJRHVOWOVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-2-3-4-5-6-9-14-27-20-11-8-7-10-18(20)19-13-12-17(15-21(19)27)28-16-22-23-25-26-24-22/h7-8,10-13,15H,2-6,9,14,16H2,1H3,(H,23,24,25,26).
What are the key properties of 9-octyl-2-(2H-tetrazol-5-ylmethoxy)carbazole?
9-octyl-2-(2H-tetrazol-5-ylmethoxy)carbazole has a molecular weight of 377.49 g/mol, XLogP of 5.25, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-octyl-2-(2H-tetrazol-5-ylmethoxy)carbazole is sourced from PubChem (CID 56673053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).