9-phenyl-3-(2-phenylethynyl)carbazole

C26H17N — CID 162470888

IUPAC9-phenyl-3-(2-phenylethynyl)carbazole
SMILESC(#Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1)c1ccccc1
InChIInChI=1S/C26H17N/c1-3-9-20(10-4-1)15-16-21-17-18-26-24(19-21)23-13-7-8-14-25(23)27(26)22-11-5-2-6-12-22/h1-14,17-19H
InChIKeyGSPTVWGNOPEUBL-UHFFFAOYSA-N
MW343.43 g/mol
LogP6.18
Rot. Bonds1

About 9-phenyl-3-(2-phenylethynyl)carbazole

9-phenyl-3-(2-phenylethynyl)carbazole (PubChem CID 162470888) has the molecular formula C26H17N and a molecular weight of 343.43 g/mol. Its IUPAC name is 9-phenyl-3-(2-phenylethynyl)carbazole.

Molecular Properties

Compound Name9-phenyl-3-(2-phenylethynyl)carbazole
PubChem CID162470888
Molecular FormulaC26H17N
Molecular Weight343.43 g/mol
Exact Mass343.14
IUPAC Name9-phenyl-3-(2-phenylethynyl)carbazole
SMILESC(#Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1)c1ccccc1
InChIInChI=1S/C26H17N/c1-3-9-20(10-4-1)15-16-21-17-18-26-24(19-21)23-13-7-8-14-25(23)27(26)22-11-5-2-6-12-22/h1-14,17-19H
InChIKeyGSPTVWGNOPEUBL-UHFFFAOYSA-N
XLogP6.18
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[3,6-bis(2-phenylethynyl)carbazol-9-yl]benzaldehyde
CID 46211216
3-[2-(4-methoxyphenyl)ethynyl]-9-[4-[3-[2-(4-methoxyphenyl)ethynyl]carbazol-9-yl]phenyl]carbazole
CID 132541703
6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile
CID 134597724
9-[4-[2-[3-[2-(4-carbazol-9-ylphenyl)ethynyl]azulen-1-yl]ethynyl]phenyl]carbazole
CID 101423276
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
9-[4-[2-(4-carbazol-9-ylphenyl)ethynyl]phenyl]-2,7-dimethylcarbazole
CID 58771348
3-[4-[4-[2-(4-naphthalen-1-ylphenyl)ethynyl]phenyl]phenyl]-9-phenylcarbazole
CID 129041123
3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169
9-[4-[2-(4-tert-butylphenyl)ethynyl]phenyl]carbazole
CID 141209126
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
CID 159170044
9-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]carbazole
CID 102501800
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-(2-phenylethynyl)carbazole?
The IUPAC name of 9-phenyl-3-(2-phenylethynyl)carbazole (CID 162470888) is 9-phenyl-3-(2-phenylethynyl)carbazole.
What is the SMILES notation for 9-phenyl-3-(2-phenylethynyl)carbazole?
The canonical SMILES for 9-phenyl-3-(2-phenylethynyl)carbazole is C(#Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1)c1ccccc1.
What is the InChIKey of 9-phenyl-3-(2-phenylethynyl)carbazole?
The InChIKey is GSPTVWGNOPEUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N/c1-3-9-20(10-4-1)15-16-21-17-18-26-24(19-21)23-13-7-8-14-25(23)27(26)22-11-5-2-6-12-22/h1-14,17-19H.
What are the key properties of 9-phenyl-3-(2-phenylethynyl)carbazole?
9-phenyl-3-(2-phenylethynyl)carbazole has a molecular weight of 343.43 g/mol, XLogP of 6.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-(2-phenylethynyl)carbazole is sourced from PubChem (CID 162470888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).