1-but-3-ynyl-9H-carbazole

C16H13N — CID 173036439

IUPAC1-but-3-ynyl-9H-carbazole
SMILESC#CCCc1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C16H13N/c1-2-3-7-12-8-6-10-14-13-9-4-5-11-15(13)17-16(12)14/h1,4-6,8-11,17H,3,7H2
InChIKeyRIMAXNJMARPRSU-UHFFFAOYSA-N
MW219.29 g/mol
LogP3.89
Rot. Bonds2

About 1-but-3-ynyl-9H-carbazole

1-but-3-ynyl-9H-carbazole (PubChem CID 173036439) has the molecular formula C16H13N and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-but-3-ynyl-9H-carbazole.

Molecular Properties

Compound Name1-but-3-ynyl-9H-carbazole
PubChem CID173036439
Molecular FormulaC16H13N
Molecular Weight219.29 g/mol
Exact Mass219.10
IUPAC Name1-but-3-ynyl-9H-carbazole
SMILESC#CCCc1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C16H13N/c1-2-3-7-12-8-6-10-14-13-9-4-5-11-15(13)17-16(12)14/h1,4-6,8-11,17H,3,7H2
InChIKeyRIMAXNJMARPRSU-UHFFFAOYSA-N
XLogP3.89
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9H-carbazol-1-ylmethanol
CID 10987211
1-nonyl-9H-carbazole
CID 66872642
1-butyl-9H-carbazole;phosphane;hydrate
CID 174715058
1-(6-phenoxyhexyl)-9H-carbazole
CID 141296820
5-(9H-carbazol-1-yl)pentane-2,3-dione
CID 142696076
2-[2-(9H-carbazol-1-yl)ethyl]undecan-1-ol
CID 164577577
1,1'-biphenyl;1-ethynyl-9H-carbazole
CID 174492389
2-[2-(9H-carbazol-1-yl)ethyl]pentanedioic acid
CID 67896134
1-buta-1,3-diynyl-9H-carbazole
CID 54113864
4-N-(4-aminophenyl)-4-N-[6-(9H-carbazol-1-yl)hexyl]benzene-1,4-diamine
CID 141462433
2-but-3-ynylphenol
CID 14956073
1-[2-(9H-carbazol-1-yl)phenyl]-9H-carbazole
CID 66618059

Frequently Asked Questions

What is the IUPAC name of 1-but-3-ynyl-9H-carbazole?
The IUPAC name of 1-but-3-ynyl-9H-carbazole (CID 173036439) is 1-but-3-ynyl-9H-carbazole.
What is the SMILES notation for 1-but-3-ynyl-9H-carbazole?
The canonical SMILES for 1-but-3-ynyl-9H-carbazole is C#CCCc1cccc2c1[nH]c1ccccc12.
What is the InChIKey of 1-but-3-ynyl-9H-carbazole?
The InChIKey is RIMAXNJMARPRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N/c1-2-3-7-12-8-6-10-14-13-9-4-5-11-15(13)17-16(12)14/h1,4-6,8-11,17H,3,7H2.
What are the key properties of 1-but-3-ynyl-9H-carbazole?
1-but-3-ynyl-9H-carbazole has a molecular weight of 219.29 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-ynyl-9H-carbazole is sourced from PubChem (CID 173036439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).