2,7-bis(hex-1-ynyl)-9H-carbazole

C24H25N — CID 165358279

IUPAC2,7-bis(hex-1-ynyl)-9H-carbazole
SMILESCCCCC#Cc1ccc2c(c1)[nH]c1cc(C#CCCCC)ccc12
InChIInChI=1S/C24H25N/c1-3-5-7-9-11-19-13-15-21-22-16-14-20(12-10-8-6-4-2)18-24(22)25-23(21)17-19/h13-18,25H,3-8H2,1-2H3
InChIKeyURQOAIWHJRLDIY-UHFFFAOYSA-N
MW327.47 g/mol
LogP6.40
Rot. Bonds4

About 2,7-bis(hex-1-ynyl)-9H-carbazole

2,7-bis(hex-1-ynyl)-9H-carbazole (PubChem CID 165358279) has the molecular formula C24H25N and a molecular weight of 327.47 g/mol. Its IUPAC name is 2,7-bis(hex-1-ynyl)-9H-carbazole.

Molecular Properties

Compound Name2,7-bis(hex-1-ynyl)-9H-carbazole
PubChem CID165358279
Molecular FormulaC24H25N
Molecular Weight327.47 g/mol
Exact Mass327.20
IUPAC Name2,7-bis(hex-1-ynyl)-9H-carbazole
SMILESCCCCC#Cc1ccc2c(c1)[nH]c1cc(C#CCCCC)ccc12
InChIInChI=1S/C24H25N/c1-3-5-7-9-11-19-13-15-21-22-16-14-20(12-10-8-6-4-2)18-24(22)25-23(21)17-19/h13-18,25H,3-8H2,1-2H3
InChIKeyURQOAIWHJRLDIY-UHFFFAOYSA-N
XLogP6.40
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.47
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,7-bis(dodec-1-ynyl)-[1]benzoselenolo[3,2-b][1]benzoselenole
CID 59181287
2-hex-1-ynylnaphthalene
CID 15311977
4-hept-1-ynyl-1,2-dimethylbenzene
CID 146003285
1-ethynyl-4-hex-1-ynylbenzene
CID 19050497
4-hex-1-ynylaniline
CID 11845914
1-fluoro-4-(4-hex-1-ynylphenyl)benzene
CID 19386407
3-hex-1-ynylbenzonitrile
CID 86099197
1-bromo-3-hex-1-ynylbenzene
CID 101374896
2-chloro-4-dodec-1-ynyl-1-methylbenzene
CID 146002939
1-fluoro-2-methyl-4-non-1-ynylbenzene
CID 146003504
1-chloro-4-dodec-1-ynylbenzene
CID 146003040
(4-hex-1-ynylphenyl)methanol
CID 101212882

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(hex-1-ynyl)-9H-carbazole?
The IUPAC name of 2,7-bis(hex-1-ynyl)-9H-carbazole (CID 165358279) is 2,7-bis(hex-1-ynyl)-9H-carbazole.
What is the SMILES notation for 2,7-bis(hex-1-ynyl)-9H-carbazole?
The canonical SMILES for 2,7-bis(hex-1-ynyl)-9H-carbazole is CCCCC#Cc1ccc2c(c1)[nH]c1cc(C#CCCCC)ccc12.
What is the InChIKey of 2,7-bis(hex-1-ynyl)-9H-carbazole?
The InChIKey is URQOAIWHJRLDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N/c1-3-5-7-9-11-19-13-15-21-22-16-14-20(12-10-8-6-4-2)18-24(22)25-23(21)17-19/h13-18,25H,3-8H2,1-2H3.
What are the key properties of 2,7-bis(hex-1-ynyl)-9H-carbazole?
2,7-bis(hex-1-ynyl)-9H-carbazole has a molecular weight of 327.47 g/mol, XLogP of 6.40, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(hex-1-ynyl)-9H-carbazole is sourced from PubChem (CID 165358279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).