9-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]carbazole

C27H19NO — CID 102501800

IUPAC9-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]carbazole
SMILESCOc1ccc(C#Cc2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C27H19NO/c1-29-23-18-14-21(15-19-23)11-10-20-12-16-22(17-13-20)28-26-8-4-2-6-24(26)25-7-3-5-9-27(25)28/h2-9,12-19H,1H3
InChIKeySGJNQGPYBLTNEV-UHFFFAOYSA-N
MW373.46 g/mol
LogP6.19
Rot. Bonds2

About 9-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]carbazole

9-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]carbazole (PubChem CID 102501800) has the molecular formula C27H19NO and a molecular weight of 373.46 g/mol. Its IUPAC name is 9-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]carbazole
PubChem CID102501800
Molecular FormulaC27H19NO
Molecular Weight373.46 g/mol
Exact Mass373.15
IUPAC Name9-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]carbazole
SMILESCOc1ccc(C#Cc2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C27H19NO/c1-29-23-18-14-21(15-19-23)11-10-20-12-16-22(17-13-20)28-26-8-4-2-6-24(26)25-7-3-5-9-27(25)28/h2-9,12-19H,1H3
InChIKeySGJNQGPYBLTNEV-UHFFFAOYSA-N
XLogP6.19
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.46
LogP ≤ 56.19
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

3-[2-(4-methoxyphenyl)ethynyl]-9-[4-[3-[2-(4-methoxyphenyl)ethynyl]carbazol-9-yl]phenyl]carbazole
CID 132541703
9-[4-(4-methoxyphenyl)phenyl]carbazole
CID 58905910
9-[4-[2-(4-tert-butylphenyl)ethynyl]phenyl]carbazole
CID 141209126
3,6-dimethoxy-9-[4-[4-(3-methoxycarbazol-9-yl)phenyl]sulfanylphenyl]carbazole
CID 144918544
9-[4-[2-(4-carbazol-9-ylphenyl)ethynyl]phenyl]-2,7-dimethylcarbazole
CID 58771348
9-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethenyl]carbazole
CID 54402774
9-phenyl-3-(2-phenylethynyl)carbazole
CID 162470888
2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]ethynamine
CID 144963426
1-[4-[2-(4-carbazol-9-ylphenyl)ethynyl]phenyl]ethanone
CID 141209128
9-[4-[2-[3-[2-(4-carbazol-9-ylphenyl)ethynyl]azulen-1-yl]ethynyl]phenyl]carbazole
CID 101423276
1-(4-methoxyphenyl)-2-methyl-3-phenylindole
CID 102459165
[6-carbazol-9-yl-9-(4-methoxyphenyl)carbazol-3-yl]boronic acid
CID 140873138

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]carbazole?
The IUPAC name of 9-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]carbazole (CID 102501800) is 9-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]carbazole is COc1ccc(C#Cc2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of 9-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]carbazole?
The InChIKey is SGJNQGPYBLTNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19NO/c1-29-23-18-14-21(15-19-23)11-10-20-12-16-22(17-13-20)28-26-8-4-2-6-24(26)25-7-3-5-9-27(25)28/h2-9,12-19H,1H3.
What are the key properties of 9-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]carbazole?
9-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]carbazole has a molecular weight of 373.46 g/mol, XLogP of 6.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]carbazole is sourced from PubChem (CID 102501800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).