2-methyl-3-(4-methyl-1,3-diphenylpent-1-yn-3-yl)-1H-indole

C27H25N — CID 50924836

IUPAC2-methyl-3-(4-methyl-1,3-diphenylpent-1-yn-3-yl)-1H-indole
SMILESCc1[nH]c2ccccc2c1C(C#Cc1ccccc1)(c1ccccc1)C(C)C
InChIInChI=1S/C27H25N/c1-20(2)27(23-14-8-5-9-15-23,19-18-22-12-6-4-7-13-22)26-21(3)28-25-17-11-10-16-24(25)26/h4-17,20,28H,1-3H3
InChIKeyWGMXKAKVVGSOKI-UHFFFAOYSA-N
MW363.50 g/mol
LogP6.47
Rot. Bonds3

About 2-methyl-3-(4-methyl-1,3-diphenylpent-1-yn-3-yl)-1H-indole

2-methyl-3-(4-methyl-1,3-diphenylpent-1-yn-3-yl)-1H-indole (PubChem CID 50924836) has the molecular formula C27H25N and a molecular weight of 363.50 g/mol. Its IUPAC name is 2-methyl-3-(4-methyl-1,3-diphenylpent-1-yn-3-yl)-1H-indole.

Molecular Properties

Compound Name2-methyl-3-(4-methyl-1,3-diphenylpent-1-yn-3-yl)-1H-indole
PubChem CID50924836
Molecular FormulaC27H25N
Molecular Weight363.50 g/mol
Exact Mass363.20
IUPAC Name2-methyl-3-(4-methyl-1,3-diphenylpent-1-yn-3-yl)-1H-indole
SMILESCc1[nH]c2ccccc2c1C(C#Cc1ccccc1)(c1ccccc1)C(C)C
InChIInChI=1S/C27H25N/c1-20(2)27(23-14-8-5-9-15-23,19-18-22-12-6-4-7-13-22)26-21(3)28-25-17-11-10-16-24(25)26/h4-17,20,28H,1-3H3
InChIKeyWGMXKAKVVGSOKI-UHFFFAOYSA-N
XLogP6.47
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,2-difluoro-2-(2-methyl-1H-indol-3-yl)acetonitrile
CID 116840602
3-amino-3-(2-methyl-1H-indol-3-yl)butanoic acid
CID 82289641
2,4-diphenylbut-3-yn-2-ylbenzene
CID 13072781
3-ethyl-4-methyl-1-phenylpent-1-yn-3-ol
CID 13399450
N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzenesulfonamide
CID 113085726
2-[[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]amino]acetonitrile
CID 115131519
2-phenyl-3-(3-phenylpent-1-yn-3-yl)-1H-indole
CID 50923059
2-methyl-3-(1-phenoxyethyl)-1H-indole
CID 67859918
(3S)-1,3-diphenylpent-1-yn-3-ol
CID 95185650
2-methyl-2-[[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]amino]propanenitrile
CID 115129802
1-(2-methyl-1H-indol-3-yl)-2-methylsulfanylethanamine
CID 116830290
4-(2-methyl-1H-indol-3-yl)benzonitrile
CID 39231480

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-methyl-1,3-diphenylpent-1-yn-3-yl)-1H-indole?
The IUPAC name of 2-methyl-3-(4-methyl-1,3-diphenylpent-1-yn-3-yl)-1H-indole (CID 50924836) is 2-methyl-3-(4-methyl-1,3-diphenylpent-1-yn-3-yl)-1H-indole.
What is the SMILES notation for 2-methyl-3-(4-methyl-1,3-diphenylpent-1-yn-3-yl)-1H-indole?
The canonical SMILES for 2-methyl-3-(4-methyl-1,3-diphenylpent-1-yn-3-yl)-1H-indole is Cc1[nH]c2ccccc2c1C(C#Cc1ccccc1)(c1ccccc1)C(C)C.
What is the InChIKey of 2-methyl-3-(4-methyl-1,3-diphenylpent-1-yn-3-yl)-1H-indole?
The InChIKey is WGMXKAKVVGSOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N/c1-20(2)27(23-14-8-5-9-15-23,19-18-22-12-6-4-7-13-22)26-21(3)28-25-17-11-10-16-24(25)26/h4-17,20,28H,1-3H3.
What are the key properties of 2-methyl-3-(4-methyl-1,3-diphenylpent-1-yn-3-yl)-1H-indole?
2-methyl-3-(4-methyl-1,3-diphenylpent-1-yn-3-yl)-1H-indole has a molecular weight of 363.50 g/mol, XLogP of 6.47, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-methyl-1,3-diphenylpent-1-yn-3-yl)-1H-indole is sourced from PubChem (CID 50924836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).