1-[bis(1H-indol-3-yl)methyl]-2H-isoindole

C25H19N3 — CID 155935017

IUPAC1-[bis(1H-indol-3-yl)methyl]-2H-isoindole
SMILESc1ccc2c(C(c3c[nH]c4ccccc34)c3c[nH]c4ccccc34)[nH]cc2c1
InChIInChI=1S/C25H19N3/c1-2-8-17-16(7-1)13-28-25(17)24(20-14-26-22-11-5-3-9-18(20)22)21-15-27-23-12-6-4-10-19(21)23/h1-15,24,26-28H
InChIKeyNBVURIXDAFAZIL-UHFFFAOYSA-N
MW361.45 g/mol
LogP6.31
Rot. Bonds3

About 1-[bis(1H-indol-3-yl)methyl]-2H-isoindole

1-[bis(1H-indol-3-yl)methyl]-2H-isoindole (PubChem CID 155935017) has the molecular formula C25H19N3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-[bis(1H-indol-3-yl)methyl]-2H-isoindole.

Molecular Properties

Compound Name1-[bis(1H-indol-3-yl)methyl]-2H-isoindole
PubChem CID155935017
Molecular FormulaC25H19N3
Molecular Weight361.45 g/mol
Exact Mass361.16
IUPAC Name1-[bis(1H-indol-3-yl)methyl]-2H-isoindole
SMILESc1ccc2c(C(c3c[nH]c4ccccc34)c3c[nH]c4ccccc34)[nH]cc2c1
InChIInChI=1S/C25H19N3/c1-2-8-17-16(7-1)13-28-25(17)24(20-14-26-22-11-5-3-9-18(20)22)21-15-27-23-12-6-4-10-19(21)23/h1-15,24,26-28H
InChIKeyNBVURIXDAFAZIL-UHFFFAOYSA-N
XLogP6.31
TPSA47.37 Ų
H-Bond Donors3
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.45
LogP ≤ 56.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 100

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Related Compounds

3-propan-2-yl-1H-indole
CID 12534824
3-[bis(4-methoxyphenyl)methyl]-1H-indole
CID 4102319
1-(3-methylbutan-2-yl)-2H-isoindole
CID 138726843
2-[bis(1H-indol-3-yl)methyl]benzaldehyde
CID 100950087
2-[1H-indol-3-yl-(4-phenylphenyl)methyl]-1H-indole
CID 86045351
3-[phenyl(1H-pyrrol-2-yl)methyl]-1H-indole
CID 57468591
4-[1H-indol-3-yl(naphthalen-1-yl)methyl]-N-methylaniline
CID 134960683
[2-[bis(1H-indol-3-yl)methyl]phenyl] sulfamate
CID 156903035
3-[1H-indol-3-yl-(4-methoxynaphthalen-1-yl)methyl]-1H-indole
CID 4200527
3-[3H-inden-1-yl(1H-indol-3-yl)methyl]-1H-indole
CID 157471669
(2S,3S)-3-(1H-indol-3-yl)butan-2-ol
CID 130705083
2-[1H-indol-3-yl-(4-methylphenyl)methyl]-3-methyl-1H-indole
CID 134975119

Frequently Asked Questions

What is the IUPAC name of 1-[bis(1H-indol-3-yl)methyl]-2H-isoindole?
The IUPAC name of 1-[bis(1H-indol-3-yl)methyl]-2H-isoindole (CID 155935017) is 1-[bis(1H-indol-3-yl)methyl]-2H-isoindole.
What is the SMILES notation for 1-[bis(1H-indol-3-yl)methyl]-2H-isoindole?
The canonical SMILES for 1-[bis(1H-indol-3-yl)methyl]-2H-isoindole is c1ccc2c(C(c3c[nH]c4ccccc34)c3c[nH]c4ccccc34)[nH]cc2c1.
What is the InChIKey of 1-[bis(1H-indol-3-yl)methyl]-2H-isoindole?
The InChIKey is NBVURIXDAFAZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3/c1-2-8-17-16(7-1)13-28-25(17)24(20-14-26-22-11-5-3-9-18(20)22)21-15-27-23-12-6-4-10-19(21)23/h1-15,24,26-28H.
What are the key properties of 1-[bis(1H-indol-3-yl)methyl]-2H-isoindole?
1-[bis(1H-indol-3-yl)methyl]-2H-isoindole has a molecular weight of 361.45 g/mol, XLogP of 6.31, 3 rotatable bonds, 3 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(1H-indol-3-yl)methyl]-2H-isoindole is sourced from PubChem (CID 155935017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).