5-methyl-1-(6-methyl-2-pyridinyl)-2-(2-phenylethynyl)indole

C23H18N2 — CID 132991869

IUPAC5-methyl-1-(6-methyl-2-pyridinyl)-2-(2-phenylethynyl)indole
SMILESCc1ccc2c(c1)cc(C#Cc1ccccc1)n2-c1cccc(C)n1
InChIInChI=1S/C23H18N2/c1-17-11-14-22-20(15-17)16-21(13-12-19-8-4-3-5-9-19)25(22)23-10-6-7-18(2)24-23/h3-11,14-16H,1-2H3
InChIKeyKDLSOLUJNHPHGA-UHFFFAOYSA-N
MW322.41 g/mol
LogP5.04
Rot. Bonds1

About 5-methyl-1-(6-methyl-2-pyridinyl)-2-(2-phenylethynyl)indole

5-methyl-1-(6-methyl-2-pyridinyl)-2-(2-phenylethynyl)indole (PubChem CID 132991869) has the molecular formula C23H18N2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 5-methyl-1-(6-methyl-2-pyridinyl)-2-(2-phenylethynyl)indole.

Molecular Properties

Compound Name5-methyl-1-(6-methyl-2-pyridinyl)-2-(2-phenylethynyl)indole
PubChem CID132991869
Molecular FormulaC23H18N2
Molecular Weight322.41 g/mol
Exact Mass322.15
IUPAC Name5-methyl-1-(6-methyl-2-pyridinyl)-2-(2-phenylethynyl)indole
SMILESCc1ccc2c(c1)cc(C#Cc1ccccc1)n2-c1cccc(C)n1
InChIInChI=1S/C23H18N2/c1-17-11-14-22-20(15-17)16-21(13-12-19-8-4-3-5-9-19)25(22)23-10-6-7-18(2)24-23/h3-11,14-16H,1-2H3
InChIKeyKDLSOLUJNHPHGA-UHFFFAOYSA-N
XLogP5.04
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.41
LogP ≤ 55.04
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

5-chloro-1-(6-methyl-2-pyridinyl)-2-(2-phenylethynyl)indole
CID 132991870
6-fluoro-1-(4-methylphenyl)-2-(2-phenylethynyl)indole
CID 135017017
9-(6-methyl-2-pyridinyl)-3-phenylcarbazole
CID 144734478
5-chloro-2-[2-(4-methylphenyl)ethynyl]-1-(2-nitrophenyl)indole
CID 162405953
2-benzyl-5-methyl-1-pyrimidin-2-ylindole
CID 155679285
6-methyl-1,3-bis(2-phenylethynyl)naphthalene
CID 59335506
ethane;1-methyl-4-(2-phenylethynyl)benzene
CID 91544809
2-(4-methylphenyl)-3-(6-methyl-2-pyridinyl)quinazolin-4-one
CID 829438
methylsulfanylmethane;2-phenylethynylbenzene
CID 166709013
6-fluoro-1-phenyl-2-(2-phenylethynyl)indole
CID 135017015
1,4-dimethyl-2-[2-(3-methylphenyl)ethynyl]imidazole
CID 22271733
2,10-dimethylazecine
CID 126659012

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(6-methyl-2-pyridinyl)-2-(2-phenylethynyl)indole?
The IUPAC name of 5-methyl-1-(6-methyl-2-pyridinyl)-2-(2-phenylethynyl)indole (CID 132991869) is 5-methyl-1-(6-methyl-2-pyridinyl)-2-(2-phenylethynyl)indole.
What is the SMILES notation for 5-methyl-1-(6-methyl-2-pyridinyl)-2-(2-phenylethynyl)indole?
The canonical SMILES for 5-methyl-1-(6-methyl-2-pyridinyl)-2-(2-phenylethynyl)indole is Cc1ccc2c(c1)cc(C#Cc1ccccc1)n2-c1cccc(C)n1.
What is the InChIKey of 5-methyl-1-(6-methyl-2-pyridinyl)-2-(2-phenylethynyl)indole?
The InChIKey is KDLSOLUJNHPHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2/c1-17-11-14-22-20(15-17)16-21(13-12-19-8-4-3-5-9-19)25(22)23-10-6-7-18(2)24-23/h3-11,14-16H,1-2H3.
What are the key properties of 5-methyl-1-(6-methyl-2-pyridinyl)-2-(2-phenylethynyl)indole?
5-methyl-1-(6-methyl-2-pyridinyl)-2-(2-phenylethynyl)indole has a molecular weight of 322.41 g/mol, XLogP of 5.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(6-methyl-2-pyridinyl)-2-(2-phenylethynyl)indole is sourced from PubChem (CID 132991869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).