3-[3H-inden-1-yl(1H-indol-3-yl)methyl]-1H-indole

C26H20N2 — CID 157471669

IUPAC3-[3H-inden-1-yl(1H-indol-3-yl)methyl]-1H-indole
SMILESC1=C(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)c2ccccc2C1
InChIInChI=1S/C26H20N2/c1-2-8-18-17(7-1)13-14-21(18)26(22-15-27-24-11-5-3-9-19(22)24)23-16-28-25-12-6-4-10-20(23)25/h1-12,14-16,26-28H,13H2
InChIKeyZAJUWBCHLPGTRM-UHFFFAOYSA-N
MW360.46 g/mol
LogP6.42
Rot. Bonds3

About 3-[3H-inden-1-yl(1H-indol-3-yl)methyl]-1H-indole

3-[3H-inden-1-yl(1H-indol-3-yl)methyl]-1H-indole (PubChem CID 157471669) has the molecular formula C26H20N2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-[3H-inden-1-yl(1H-indol-3-yl)methyl]-1H-indole.

Molecular Properties

Compound Name3-[3H-inden-1-yl(1H-indol-3-yl)methyl]-1H-indole
PubChem CID157471669
Molecular FormulaC26H20N2
Molecular Weight360.46 g/mol
Exact Mass360.16
IUPAC Name3-[3H-inden-1-yl(1H-indol-3-yl)methyl]-1H-indole
SMILESC1=C(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)c2ccccc2C1
InChIInChI=1S/C26H20N2/c1-2-8-18-17(7-1)13-14-21(18)26(22-15-27-24-11-5-3-9-19(22)24)23-16-28-25-12-6-4-10-20(23)25/h1-12,14-16,26-28H,13H2
InChIKeyZAJUWBCHLPGTRM-UHFFFAOYSA-N
XLogP6.42
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

3-[1H-imidazol-2-yl(3H-inden-1-yl)methyl]-1H-indole
CID 163911567
4-[3H-inden-1-yl(1H-indol-3-yl)methyl]benzaldehyde
CID 159608053
5-bromo-2-[3H-inden-1-yl(1H-indol-3-yl)methyl]phenol
CID 163425608
3-[9H-fluoren-2-yl(1H-indol-3-yl)methyl]-1H-indole
CID 139526334
2-[bis(1H-indol-3-yl)methyl]benzaldehyde
CID 100950087
3-propan-2-yl-1H-indole
CID 12534824
1-[bis(1H-indol-3-yl)methyl]-2H-isoindole
CID 155935017
(2S,3S)-3-(1H-indol-3-yl)butan-2-ol
CID 130705083
1-(1H-indol-3-yl)-2,3-dihydroindazole
CID 173336641
1-(1H-indol-3-yl)-N',N'-dimethylmethanediamine
CID 116909089
(2R)-2-amino-2-(1H-indol-3-yl)acetaldehyde
CID 175028483
3-[phenyl(1H-pyrrol-2-yl)methyl]-1H-indole
CID 57468591

Frequently Asked Questions

What is the IUPAC name of 3-[3H-inden-1-yl(1H-indol-3-yl)methyl]-1H-indole?
The IUPAC name of 3-[3H-inden-1-yl(1H-indol-3-yl)methyl]-1H-indole (CID 157471669) is 3-[3H-inden-1-yl(1H-indol-3-yl)methyl]-1H-indole.
What is the SMILES notation for 3-[3H-inden-1-yl(1H-indol-3-yl)methyl]-1H-indole?
The canonical SMILES for 3-[3H-inden-1-yl(1H-indol-3-yl)methyl]-1H-indole is C1=C(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)c2ccccc2C1.
What is the InChIKey of 3-[3H-inden-1-yl(1H-indol-3-yl)methyl]-1H-indole?
The InChIKey is ZAJUWBCHLPGTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2/c1-2-8-18-17(7-1)13-14-21(18)26(22-15-27-24-11-5-3-9-19(22)24)23-16-28-25-12-6-4-10-20(23)25/h1-12,14-16,26-28H,13H2.
What are the key properties of 3-[3H-inden-1-yl(1H-indol-3-yl)methyl]-1H-indole?
3-[3H-inden-1-yl(1H-indol-3-yl)methyl]-1H-indole has a molecular weight of 360.46 g/mol, XLogP of 6.42, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3H-inden-1-yl(1H-indol-3-yl)methyl]-1H-indole is sourced from PubChem (CID 157471669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).