3-[1,3,3-tris(1H-indol-3-yl)propyl]-1H-indole

C35H28N4 — CID 139234850

IUPAC3-[1,3,3-tris(1H-indol-3-yl)propyl]-1H-indole
SMILESc1ccc2c(C(CC(c3c[nH]c4ccccc34)c3c[nH]c4ccccc34)c3c[nH]c4ccccc34)c[nH]c2c1
InChIInChI=1S/C35H28N4/c1-5-13-32-22(9-1)28(18-36-32)26(29-19-37-33-14-6-2-10-23(29)33)17-27(30-20-38-34-15-7-3-11-24(30)34)31-21-39-35-16-8-4-12-25(31)35/h1-16,18-21,26-27,36-39H,17H2
InChIKeyNZYQNGYOTSQHTI-UHFFFAOYSA-N
MW504.64 g/mol
LogP8.97
Rot. Bonds6

About 3-[1,3,3-tris(1H-indol-3-yl)propyl]-1H-indole

3-[1,3,3-tris(1H-indol-3-yl)propyl]-1H-indole (PubChem CID 139234850) has the molecular formula C35H28N4 and a molecular weight of 504.64 g/mol. Its IUPAC name is 3-[1,3,3-tris(1H-indol-3-yl)propyl]-1H-indole.

Molecular Properties

Compound Name3-[1,3,3-tris(1H-indol-3-yl)propyl]-1H-indole
PubChem CID139234850
Molecular FormulaC35H28N4
Molecular Weight504.64 g/mol
Exact Mass504.23
IUPAC Name3-[1,3,3-tris(1H-indol-3-yl)propyl]-1H-indole
SMILESc1ccc2c(C(CC(c3c[nH]c4ccccc34)c3c[nH]c4ccccc34)c3c[nH]c4ccccc34)c[nH]c2c1
InChIInChI=1S/C35H28N4/c1-5-13-32-22(9-1)28(18-36-32)26(29-19-37-33-14-6-2-10-23(29)33)17-27(30-20-38-34-15-7-3-11-24(30)34)31-21-39-35-16-8-4-12-25(31)35/h1-16,18-21,26-27,36-39H,17H2
InChIKeyNZYQNGYOTSQHTI-UHFFFAOYSA-N
XLogP8.97
TPSA63.16 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.64
LogP ≤ 58.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

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Related Compounds

Tryptamine
CID 1150
3,3'-Diindolylmethane
CID 3071
Indalpine
CID 44668
Serdemetan
CID 11609586
Tryptaminium
CID 3985862
N,N-Dipropyltryptamine
CID 6091
3-(1,2,3,6-Tetrahydropyridin-4-yl)-1H-indole
CID 2761023
3-(2-(4-Pyridyl)ethyl)indole
CID 27934
N-[2-(1H-indol-3-yl)ethyl]acridin-9-amine
CID 2946841
N-Ethyltryptamine
CID 6092
2-(1H-indol-3-yl)-2-phenylethan-1-amine
CID 609935
5,10,15,20-Tetra(4-pyridyl)porphyrin
CID 135411729

Frequently Asked Questions

What is the IUPAC name of 3-[1,3,3-tris(1H-indol-3-yl)propyl]-1H-indole?
The IUPAC name of 3-[1,3,3-tris(1H-indol-3-yl)propyl]-1H-indole (CID 139234850) is 3-[1,3,3-tris(1H-indol-3-yl)propyl]-1H-indole.
What is the SMILES notation for 3-[1,3,3-tris(1H-indol-3-yl)propyl]-1H-indole?
The canonical SMILES for 3-[1,3,3-tris(1H-indol-3-yl)propyl]-1H-indole is c1ccc2c(C(CC(c3c[nH]c4ccccc34)c3c[nH]c4ccccc34)c3c[nH]c4ccccc34)c[nH]c2c1.
What is the InChIKey of 3-[1,3,3-tris(1H-indol-3-yl)propyl]-1H-indole?
The InChIKey is NZYQNGYOTSQHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28N4/c1-5-13-32-22(9-1)28(18-36-32)26(29-19-37-33-14-6-2-10-23(29)33)17-27(30-20-38-34-15-7-3-11-24(30)34)31-21-39-35-16-8-4-12-25(31)35/h1-16,18-21,26-27,36-39H,17H2.
What are the key properties of 3-[1,3,3-tris(1H-indol-3-yl)propyl]-1H-indole?
3-[1,3,3-tris(1H-indol-3-yl)propyl]-1H-indole has a molecular weight of 504.64 g/mol, XLogP of 8.97, 6 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,3,3-tris(1H-indol-3-yl)propyl]-1H-indole is sourced from PubChem (CID 139234850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).