1-[4-[2-(4-carbazol-9-ylphenyl)ethynyl]phenyl]ethanone

C28H19NO — CID 141209128

IUPAC1-[4-[2-(4-carbazol-9-ylphenyl)ethynyl]phenyl]ethanone
SMILESCC(=O)c1ccc(C#Cc2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C28H19NO/c1-20(30)23-16-12-21(13-17-23)10-11-22-14-18-24(19-15-22)29-27-8-4-2-6-25(27)26-7-3-5-9-28(26)29/h2-9,12-19H,1H3
InChIKeyUURBFADFRRSTQU-UHFFFAOYSA-N
MW385.47 g/mol
LogP6.39
Rot. Bonds2

About 1-[4-[2-(4-carbazol-9-ylphenyl)ethynyl]phenyl]ethanone

1-[4-[2-(4-carbazol-9-ylphenyl)ethynyl]phenyl]ethanone (PubChem CID 141209128) has the molecular formula C28H19NO and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-[4-[2-(4-carbazol-9-ylphenyl)ethynyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(4-carbazol-9-ylphenyl)ethynyl]phenyl]ethanone
PubChem CID141209128
Molecular FormulaC28H19NO
Molecular Weight385.47 g/mol
Exact Mass385.15
IUPAC Name1-[4-[2-(4-carbazol-9-ylphenyl)ethynyl]phenyl]ethanone
SMILESCC(=O)c1ccc(C#Cc2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C28H19NO/c1-20(30)23-16-12-21(13-17-23)10-11-22-14-18-24(19-15-22)29-27-8-4-2-6-25(27)26-7-3-5-9-28(26)29/h2-9,12-19H,1H3
InChIKeyUURBFADFRRSTQU-UHFFFAOYSA-N
XLogP6.39
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-[4-[(E)-3-(4-carbazol-9-ylphenyl)but-2-en-2-yl]phenyl]carbazole
CID 140924005
9-[4-[2-(4-tert-butylphenyl)ethynyl]phenyl]carbazole
CID 141209126
9-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]carbazole
CID 102501800
9-[4-[2-(4-carbazol-9-ylphenyl)ethynyl]phenyl]-2,7-dimethylcarbazole
CID 58771348
9-phenyl-3-(2-phenylethynyl)carbazole
CID 162470888
bis[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]methanone
CID 102359107
(1Z)-1-(4-carbazol-9-ylphenyl)-1-hydroxyiminopropan-2-one
CID 50936669
9-[4-[2-[3-[2-(4-carbazol-9-ylphenyl)ethynyl]azulen-1-yl]ethynyl]phenyl]carbazole
CID 101423276
3-[2-(4-methoxyphenyl)ethynyl]-9-[4-[3-[2-(4-methoxyphenyl)ethynyl]carbazol-9-yl]phenyl]carbazole
CID 132541703
1-(3-carbazol-9-ylcarbazol-9-yl)ethanone
CID 118391781
2-oxo-2-(9-phenylcarbazol-3-yl)acetic acid
CID 22287027
1-[4-[2-(4-aminophenyl)ethynyl]phenyl]ethanone
CID 11470363

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-carbazol-9-ylphenyl)ethynyl]phenyl]ethanone?
The IUPAC name of 1-[4-[2-(4-carbazol-9-ylphenyl)ethynyl]phenyl]ethanone (CID 141209128) is 1-[4-[2-(4-carbazol-9-ylphenyl)ethynyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[2-(4-carbazol-9-ylphenyl)ethynyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[2-(4-carbazol-9-ylphenyl)ethynyl]phenyl]ethanone is CC(=O)c1ccc(C#Cc2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of 1-[4-[2-(4-carbazol-9-ylphenyl)ethynyl]phenyl]ethanone?
The InChIKey is UURBFADFRRSTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19NO/c1-20(30)23-16-12-21(13-17-23)10-11-22-14-18-24(19-15-22)29-27-8-4-2-6-25(27)26-7-3-5-9-28(26)29/h2-9,12-19H,1H3.
What are the key properties of 1-[4-[2-(4-carbazol-9-ylphenyl)ethynyl]phenyl]ethanone?
1-[4-[2-(4-carbazol-9-ylphenyl)ethynyl]phenyl]ethanone has a molecular weight of 385.47 g/mol, XLogP of 6.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-carbazol-9-ylphenyl)ethynyl]phenyl]ethanone is sourced from PubChem (CID 141209128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).