1,3-bis(2-pyridin-4-ylethynyl)-9H-carbazole

C26H15N3 — CID 141448997

IUPAC1,3-bis(2-pyridin-4-ylethynyl)-9H-carbazole
SMILESC(#Cc1cc(C#Cc2ccncc2)c2[nH]c3ccccc3c2c1)c1ccncc1
InChIInChI=1S/C26H15N3/c1-2-4-25-23(3-1)24-18-21(6-5-19-9-13-27-14-10-19)17-22(26(24)29-25)8-7-20-11-15-28-16-12-20/h1-4,9-18,29H
InChIKeyKETBLEIPNSCIMO-UHFFFAOYSA-N
MW369.43 g/mol
LogP4.91
Rot. Bonds

About 1,3-bis(2-pyridin-4-ylethynyl)-9H-carbazole

1,3-bis(2-pyridin-4-ylethynyl)-9H-carbazole (PubChem CID 141448997) has the molecular formula C26H15N3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 1,3-bis(2-pyridin-4-ylethynyl)-9H-carbazole.

Molecular Properties

Compound Name1,3-bis(2-pyridin-4-ylethynyl)-9H-carbazole
PubChem CID141448997
Molecular FormulaC26H15N3
Molecular Weight369.43 g/mol
Exact Mass369.13
IUPAC Name1,3-bis(2-pyridin-4-ylethynyl)-9H-carbazole
SMILESC(#Cc1cc(C#Cc2ccncc2)c2[nH]c3ccccc3c2c1)c1ccncc1
InChIInChI=1S/C26H15N3/c1-2-4-25-23(3-1)24-18-21(6-5-19-9-13-27-14-10-19)17-22(26(24)29-25)8-7-20-11-15-28-16-12-20/h1-4,9-18,29H
InChIKeyKETBLEIPNSCIMO-UHFFFAOYSA-N
XLogP4.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2-bromophenyl)ethynyl]pyridine
CID 131366975
1-(4-pyridin-4-yl-2-pyridinyl)-9H-carbazole
CID 141396420
1,1'-biphenyl;1-ethynyl-9H-carbazole
CID 174492389
9H-carbazole
CID 66668984
8,17-diazatricyclo[8.7.0.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
CID 151112967
1-buta-1,3-diynyl-9H-carbazole
CID 54113864
9H-carbazole;1H-indole;pyridine
CID 161417632
1-phenyl-3-(1-phenyl-9H-carbazol-3-yl)-9H-carbazole
CID 175910913
9H-carbazole;N,N-diphenylaniline;pyridine
CID 175394994
2-[3,6-bis[2-(2,6-dioctoxyphenyl)ethynyl]-8-(2-trimethylsilylethynyl)-9H-carbazol-1-yl]ethynyl-trimethylsilane
CID 102443793
6,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 148886770
ethane;5H-pyrido[4,3-b]indole
CID 176987523

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-pyridin-4-ylethynyl)-9H-carbazole?
The IUPAC name of 1,3-bis(2-pyridin-4-ylethynyl)-9H-carbazole (CID 141448997) is 1,3-bis(2-pyridin-4-ylethynyl)-9H-carbazole.
What is the SMILES notation for 1,3-bis(2-pyridin-4-ylethynyl)-9H-carbazole?
The canonical SMILES for 1,3-bis(2-pyridin-4-ylethynyl)-9H-carbazole is C(#Cc1cc(C#Cc2ccncc2)c2[nH]c3ccccc3c2c1)c1ccncc1.
What is the InChIKey of 1,3-bis(2-pyridin-4-ylethynyl)-9H-carbazole?
The InChIKey is KETBLEIPNSCIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15N3/c1-2-4-25-23(3-1)24-18-21(6-5-19-9-13-27-14-10-19)17-22(26(24)29-25)8-7-20-11-15-28-16-12-20/h1-4,9-18,29H.
What are the key properties of 1,3-bis(2-pyridin-4-ylethynyl)-9H-carbazole?
1,3-bis(2-pyridin-4-ylethynyl)-9H-carbazole has a molecular weight of 369.43 g/mol, XLogP of 4.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-pyridin-4-ylethynyl)-9H-carbazole is sourced from PubChem (CID 141448997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).