1-buta-1,3-diynyl-9H-carbazole

C16H9N — CID 54113864

IUPAC1-buta-1,3-diynyl-9H-carbazole
SMILESC#CC#Cc1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C16H9N/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
InChIKeyNIYRYQZWFLVZET-UHFFFAOYSA-N
MW215.25 g/mol
LogP3.31
Rot. Bonds

About 1-buta-1,3-diynyl-9H-carbazole

1-buta-1,3-diynyl-9H-carbazole (PubChem CID 54113864) has the molecular formula C16H9N and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-buta-1,3-diynyl-9H-carbazole.

Molecular Properties

Compound Name1-buta-1,3-diynyl-9H-carbazole
PubChem CID54113864
Molecular FormulaC16H9N
Molecular Weight215.25 g/mol
Exact Mass215.07
IUPAC Name1-buta-1,3-diynyl-9H-carbazole
SMILESC#CC#Cc1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C16H9N/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
InChIKeyNIYRYQZWFLVZET-UHFFFAOYSA-N
XLogP3.31
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 53.31
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

1,1'-biphenyl;1-ethynyl-9H-carbazole
CID 174492389
9H-carbazole-1-carbothialdehyde
CID 87924889
1-[2-(9H-carbazol-1-yl)phenyl]-9H-carbazole
CID 66618059
1-but-3-ynyl-9H-carbazole
CID 173036439
9H-carbazole-1-carbaldehyde
CID 11745551
9H-carbazole
CID 66668984
1-[4-[4-[4-[4-(9H-carbazol-1-yl)phenyl]phenyl]phenyl]phenyl]-9H-carbazole
CID 175958773
3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 102175677
1-[1-(9H-carbazol-1-yl)-1-fluoroethyl]-9H-carbazole
CID 175508269
9H-carbazol-1-ylmethanol
CID 10987211
5-methyl-11H-benzo[a]carbazole
CID 6454977
9H-carbazole;copper
CID 159878189

Frequently Asked Questions

What is the IUPAC name of 1-buta-1,3-diynyl-9H-carbazole?
The IUPAC name of 1-buta-1,3-diynyl-9H-carbazole (CID 54113864) is 1-buta-1,3-diynyl-9H-carbazole.
What is the SMILES notation for 1-buta-1,3-diynyl-9H-carbazole?
The canonical SMILES for 1-buta-1,3-diynyl-9H-carbazole is C#CC#Cc1cccc2c1[nH]c1ccccc12.
What is the InChIKey of 1-buta-1,3-diynyl-9H-carbazole?
The InChIKey is NIYRYQZWFLVZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9N/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.
What are the key properties of 1-buta-1,3-diynyl-9H-carbazole?
1-buta-1,3-diynyl-9H-carbazole has a molecular weight of 215.25 g/mol, XLogP of 3.31, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-buta-1,3-diynyl-9H-carbazole is sourced from PubChem (CID 54113864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).