2-pentyl-2-[(2-pentylindol-2-yl)methyl]indole

C27H34N2 — CID 54450734

IUPAC2-pentyl-2-[(2-pentylindol-2-yl)methyl]indole
SMILESCCCCCC1(CC2(CCCCC)C=c3ccccc3=N2)C=c2ccccc2=N1
InChIInChI=1S/C27H34N2/c1-3-5-11-17-26(19-22-13-7-9-15-24(22)28-26)21-27(18-12-6-4-2)20-23-14-8-10-16-25(23)29-27/h7-10,13-16,19-20H,3-6,11-12,17-18,21H2,1-2H3
InChIKeyWUUDQPMCZQLLAK-UHFFFAOYSA-N
MW386.58 g/mol
LogP4.24
Rot. Bonds10

About 2-pentyl-2-[(2-pentylindol-2-yl)methyl]indole

2-pentyl-2-[(2-pentylindol-2-yl)methyl]indole (PubChem CID 54450734) has the molecular formula C27H34N2 and a molecular weight of 386.58 g/mol. Its IUPAC name is 2-pentyl-2-[(2-pentylindol-2-yl)methyl]indole.

Molecular Properties

Compound Name2-pentyl-2-[(2-pentylindol-2-yl)methyl]indole
PubChem CID54450734
Molecular FormulaC27H34N2
Molecular Weight386.58 g/mol
Exact Mass386.27
IUPAC Name2-pentyl-2-[(2-pentylindol-2-yl)methyl]indole
SMILESCCCCCC1(CC2(CCCCC)C=c3ccccc3=N2)C=c2ccccc2=N1
InChIInChI=1S/C27H34N2/c1-3-5-11-17-26(19-22-13-7-9-15-24(22)28-26)21-27(18-12-6-4-2)20-23-14-8-10-16-25(23)29-27/h7-10,13-16,19-20H,3-6,11-12,17-18,21H2,1-2H3
InChIKeyWUUDQPMCZQLLAK-UHFFFAOYSA-N
XLogP4.24
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.58
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-pentyl-2-[(2-pentylindol-2-yl)methyl]indole?
The IUPAC name of 2-pentyl-2-[(2-pentylindol-2-yl)methyl]indole (CID 54450734) is 2-pentyl-2-[(2-pentylindol-2-yl)methyl]indole.
What is the SMILES notation for 2-pentyl-2-[(2-pentylindol-2-yl)methyl]indole?
The canonical SMILES for 2-pentyl-2-[(2-pentylindol-2-yl)methyl]indole is CCCCCC1(CC2(CCCCC)C=c3ccccc3=N2)C=c2ccccc2=N1.
What is the InChIKey of 2-pentyl-2-[(2-pentylindol-2-yl)methyl]indole?
The InChIKey is WUUDQPMCZQLLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2/c1-3-5-11-17-26(19-22-13-7-9-15-24(22)28-26)21-27(18-12-6-4-2)20-23-14-8-10-16-25(23)29-27/h7-10,13-16,19-20H,3-6,11-12,17-18,21H2,1-2H3.
What are the key properties of 2-pentyl-2-[(2-pentylindol-2-yl)methyl]indole?
2-pentyl-2-[(2-pentylindol-2-yl)methyl]indole has a molecular weight of 386.58 g/mol, XLogP of 4.24, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-2-[(2-pentylindol-2-yl)methyl]indole is sourced from PubChem (CID 54450734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).