1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole

C22H19N3 — CID 141098979

IUPAC1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole
SMILESCn1cc(-c2c[nH]cc2-c2cn(C)c3ccccc23)c2ccccc21
InChIInChI=1S/C22H19N3/c1-24-13-19(15-7-3-5-9-21(15)24)17-11-23-12-18(17)20-14-25(2)22-10-6-4-8-16(20)22/h3-14,23H,1-2H3
InChIKeyGOFRTPCKYVAZQX-UHFFFAOYSA-N
MW325.42 g/mol
LogP5.33
Rot. Bonds2

About 1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole

1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole (PubChem CID 141098979) has the molecular formula C22H19N3 and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole.

Molecular Properties

Compound Name1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole
PubChem CID141098979
Molecular FormulaC22H19N3
Molecular Weight325.42 g/mol
Exact Mass325.16
IUPAC Name1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole
SMILESCn1cc(-c2c[nH]cc2-c2cn(C)c3ccccc23)c2ccccc21
InChIInChI=1S/C22H19N3/c1-24-13-19(15-7-3-5-9-21(15)24)17-11-23-12-18(17)20-14-25(2)22-10-6-4-8-16(20)22/h3-14,23H,1-2H3
InChIKeyGOFRTPCKYVAZQX-UHFFFAOYSA-N
XLogP5.33
TPSA25.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.42
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indol-6-ol
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2-(1-methylindol-3-yl)phenol
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2-(1-methylindol-3-yl)aniline
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1-methyl-3-(4-methylphenyl)indole
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1-methyl-3-(5-methyl-1H-pyrazol-3-yl)indole
CID 12006818
5-methyl-4-(1-methylindol-3-yl)thiophen-2-amine
CID 82477886
1-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)indole
CID 147456489
5-(1-methylindol-3-yl)-1H-imidazole-2-carboxylic acid
CID 116884476
3-(1-methylindol-3-yl)-1,2-oxazole
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3-bromo-1-methylindole
CID 13357736

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole?
The IUPAC name of 1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole (CID 141098979) is 1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole.
What is the SMILES notation for 1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole?
The canonical SMILES for 1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole is Cn1cc(-c2c[nH]cc2-c2cn(C)c3ccccc23)c2ccccc21.
What is the InChIKey of 1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole?
The InChIKey is GOFRTPCKYVAZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3/c1-24-13-19(15-7-3-5-9-21(15)24)17-11-23-12-18(17)20-14-25(2)22-10-6-4-8-16(20)22/h3-14,23H,1-2H3.
What are the key properties of 1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole?
1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole has a molecular weight of 325.42 g/mol, XLogP of 5.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole is sourced from PubChem (CID 141098979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).