2,3-bis(ethenyl)-1H-indole;1-methyl-2-(2-pentylphenyl)benzene

C30H33N — CID 177144901

IUPAC2,3-bis(ethenyl)-1H-indole;1-methyl-2-(2-pentylphenyl)benzene
SMILESC=Cc1[nH]c2ccccc2c1C=C.CCCCCc1ccccc1-c1ccccc1C
InChIInChI=1S/C18H22.C12H11N/c1-3-4-5-11-16-12-7-9-14-18(16)17-13-8-6-10-15(17)2;1-3-9-10-7-5-6-8-12(10)13-11(9)4-2/h6-10,12-14H,3-5,11H2,1-2H3;3-8,13H,1-2H2
InChIKeyJQJDTJKILPVXKJ-UHFFFAOYSA-N
MW407.60 g/mol
LogP8.85
Rot. Bonds7

About 2,3-bis(ethenyl)-1H-indole;1-methyl-2-(2-pentylphenyl)benzene

2,3-bis(ethenyl)-1H-indole;1-methyl-2-(2-pentylphenyl)benzene (PubChem CID 177144901) has the molecular formula C30H33N and a molecular weight of 407.60 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-1H-indole;1-methyl-2-(2-pentylphenyl)benzene.

Molecular Properties

Compound Name2,3-bis(ethenyl)-1H-indole;1-methyl-2-(2-pentylphenyl)benzene
PubChem CID177144901
Molecular FormulaC30H33N
Molecular Weight407.60 g/mol
Exact Mass407.26
IUPAC Name2,3-bis(ethenyl)-1H-indole;1-methyl-2-(2-pentylphenyl)benzene
SMILESC=Cc1[nH]c2ccccc2c1C=C.CCCCCc1ccccc1-c1ccccc1C
InChIInChI=1S/C18H22.C12H11N/c1-3-4-5-11-16-12-7-9-14-18(16)17-13-8-6-10-15(17)2;1-3-9-10-7-5-6-8-12(10)13-11(9)4-2/h6-10,12-14H,3-5,11H2,1-2H3;3-8,13H,1-2H2
InChIKeyJQJDTJKILPVXKJ-UHFFFAOYSA-N
XLogP8.85
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.60
LogP ≤ 58.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,3-bis(ethenyl)-1H-indole;1-methyl-2-(2-pentylphenyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-nonyl-9H-carbazole
CID 66872642
1,3-didecyl-2-ethenylbenzene
CID 10572118
1-butyl-2-ethenyl-3-methylbenzene
CID 154145018
3-methyl-2-(2-pentylphenyl)-1H-pyrrole
CID 173177281
1-butyl-9H-carbazole;phosphane;hydrate
CID 174715058
2-(2-dodecylphenyl)naphthalen-1-amine
CID 67724927
[2-butyl-6-(2-methylphenyl)phenyl]phosphane
CID 154051164
1-methyl-2-pentylbenzene
CID 524553
[2,3-di(nonyl)-4,5-bis(2-nonylphenyl)phenyl] phosphite
CID 19065302
sodium;1-heptadecyl-2-methylbenzene;hydride
CID 173344564
1-methyl-2-nonylbenzene;2H-triazole
CID 174954534
3-heptyl-4-methyl-1H-quinolin-2-one
CID 70126082

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-1H-indole;1-methyl-2-(2-pentylphenyl)benzene?
The IUPAC name of 2,3-bis(ethenyl)-1H-indole;1-methyl-2-(2-pentylphenyl)benzene (CID 177144901) is 2,3-bis(ethenyl)-1H-indole;1-methyl-2-(2-pentylphenyl)benzene.
What is the SMILES notation for 2,3-bis(ethenyl)-1H-indole;1-methyl-2-(2-pentylphenyl)benzene?
The canonical SMILES for 2,3-bis(ethenyl)-1H-indole;1-methyl-2-(2-pentylphenyl)benzene is C=Cc1[nH]c2ccccc2c1C=C.CCCCCc1ccccc1-c1ccccc1C.
What is the InChIKey of 2,3-bis(ethenyl)-1H-indole;1-methyl-2-(2-pentylphenyl)benzene?
The InChIKey is JQJDTJKILPVXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22.C12H11N/c1-3-4-5-11-16-12-7-9-14-18(16)17-13-8-6-10-15(17)2;1-3-9-10-7-5-6-8-12(10)13-11(9)4-2/h6-10,12-14H,3-5,11H2,1-2H3;3-8,13H,1-2H2.
What are the key properties of 2,3-bis(ethenyl)-1H-indole;1-methyl-2-(2-pentylphenyl)benzene?
2,3-bis(ethenyl)-1H-indole;1-methyl-2-(2-pentylphenyl)benzene has a molecular weight of 407.60 g/mol, XLogP of 8.85, 7 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-1H-indole;1-methyl-2-(2-pentylphenyl)benzene is sourced from PubChem (CID 177144901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).