3-[1,5,5-tris(1H-indol-3-yl)pentyl]-1H-indole

C37H32N4 — CID 139234852

IUPAC3-[1,5,5-tris(1H-indol-3-yl)pentyl]-1H-indole
SMILESc1ccc2c(C(CCCC(c3c[nH]c4ccccc34)c3c[nH]c4ccccc34)c3c[nH]c4ccccc34)c[nH]c2c1
InChIInChI=1S/C37H32N4/c1-5-16-34-26(10-1)30(20-38-34)24(31-21-39-35-17-6-2-11-27(31)35)14-9-15-25(32-22-40-36-18-7-3-12-28(32)36)33-23-41-37-19-8-4-13-29(33)37/h1-8,10-13,16-25,38-41H,9,14-15H2
InChIKeySQSHXJVZYFNEBB-UHFFFAOYSA-N
MW532.69 g/mol
LogP9.75
Rot. Bonds8

About 3-[1,5,5-tris(1H-indol-3-yl)pentyl]-1H-indole

3-[1,5,5-tris(1H-indol-3-yl)pentyl]-1H-indole (PubChem CID 139234852) has the molecular formula C37H32N4 and a molecular weight of 532.69 g/mol. Its IUPAC name is 3-[1,5,5-tris(1H-indol-3-yl)pentyl]-1H-indole.

Molecular Properties

Compound Name3-[1,5,5-tris(1H-indol-3-yl)pentyl]-1H-indole
PubChem CID139234852
Molecular FormulaC37H32N4
Molecular Weight532.69 g/mol
Exact Mass532.26
IUPAC Name3-[1,5,5-tris(1H-indol-3-yl)pentyl]-1H-indole
SMILESc1ccc2c(C(CCCC(c3c[nH]c4ccccc34)c3c[nH]c4ccccc34)c3c[nH]c4ccccc34)c[nH]c2c1
InChIInChI=1S/C37H32N4/c1-5-16-34-26(10-1)30(20-38-34)24(31-21-39-35-17-6-2-11-27(31)35)14-9-15-25(32-22-40-36-18-7-3-12-28(32)36)33-23-41-37-19-8-4-13-29(33)37/h1-8,10-13,16-25,38-41H,9,14-15H2
InChIKeySQSHXJVZYFNEBB-UHFFFAOYSA-N
XLogP9.75
TPSA63.16 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.69
LogP ≤ 59.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

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Related Compounds

3,3'-Diindolylmethane
CID 3071
Indalpine
CID 44668
Serdemetan
CID 11609586
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
2-(1H-indol-3-yl)-2-phenylethan-1-amine
CID 609935
5,10,15,20-Tetra(4-pyridyl)porphyrin
CID 135411729
2-[2,2-bis(1H-indol-3-yl)ethyl]aniline
CID 236191
5-(3-Benzylpyrrolidin-3-YL)-1H-indole (structural mix)
CID 44230732
3-(1-Benzyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 6618861
3-(4-pyridyl)-1H-indole
CID 644354

Frequently Asked Questions

What is the IUPAC name of 3-[1,5,5-tris(1H-indol-3-yl)pentyl]-1H-indole?
The IUPAC name of 3-[1,5,5-tris(1H-indol-3-yl)pentyl]-1H-indole (CID 139234852) is 3-[1,5,5-tris(1H-indol-3-yl)pentyl]-1H-indole.
What is the SMILES notation for 3-[1,5,5-tris(1H-indol-3-yl)pentyl]-1H-indole?
The canonical SMILES for 3-[1,5,5-tris(1H-indol-3-yl)pentyl]-1H-indole is c1ccc2c(C(CCCC(c3c[nH]c4ccccc34)c3c[nH]c4ccccc34)c3c[nH]c4ccccc34)c[nH]c2c1.
What is the InChIKey of 3-[1,5,5-tris(1H-indol-3-yl)pentyl]-1H-indole?
The InChIKey is SQSHXJVZYFNEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32N4/c1-5-16-34-26(10-1)30(20-38-34)24(31-21-39-35-17-6-2-11-27(31)35)14-9-15-25(32-22-40-36-18-7-3-12-28(32)36)33-23-41-37-19-8-4-13-29(33)37/h1-8,10-13,16-25,38-41H,9,14-15H2.
What are the key properties of 3-[1,5,5-tris(1H-indol-3-yl)pentyl]-1H-indole?
3-[1,5,5-tris(1H-indol-3-yl)pentyl]-1H-indole has a molecular weight of 532.69 g/mol, XLogP of 9.75, 8 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,5,5-tris(1H-indol-3-yl)pentyl]-1H-indole is sourced from PubChem (CID 139234852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).