3-[phenyl(1H-pyrrol-2-yl)methyl]-1H-indole

C19H16N2 — CID 57468591

IUPAC3-[phenyl(1H-pyrrol-2-yl)methyl]-1H-indole
SMILESc1ccc(C(c2ccc[nH]2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H16N2/c1-2-7-14(8-3-1)19(18-11-6-12-20-18)16-13-21-17-10-5-4-9-15(16)17/h1-13,19-21H
InChIKeyYNXQFTRXECFRGL-UHFFFAOYSA-N
MW272.35 g/mol
LogP4.68
Rot. Bonds3

About 3-[phenyl(1H-pyrrol-2-yl)methyl]-1H-indole

3-[phenyl(1H-pyrrol-2-yl)methyl]-1H-indole (PubChem CID 57468591) has the molecular formula C19H16N2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[phenyl(1H-pyrrol-2-yl)methyl]-1H-indole.

Molecular Properties

Compound Name3-[phenyl(1H-pyrrol-2-yl)methyl]-1H-indole
PubChem CID57468591
Molecular FormulaC19H16N2
Molecular Weight272.35 g/mol
Exact Mass272.13
IUPAC Name3-[phenyl(1H-pyrrol-2-yl)methyl]-1H-indole
SMILESc1ccc(C(c2ccc[nH]2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H16N2/c1-2-7-14(8-3-1)19(18-11-6-12-20-18)16-13-21-17-10-5-4-9-15(16)17/h1-13,19-21H
InChIKeyYNXQFTRXECFRGL-UHFFFAOYSA-N
XLogP4.68
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

3-[1H-indol-3-yl(phenyl)methyl]-5-methyl-1H-indole
CID 25098654
2-[1H-indol-3-yl-(4-phenylphenyl)methyl]-1H-indole
CID 86045351
2-(1H-indol-3-yl)-2-phenylethanamine
CID 609935
3-[bis(4-methoxyphenyl)methyl]-1H-indole
CID 4102319
3-[(E)-1-phenylbut-2-enyl]-1H-indole
CID 10776889
2,4-dibromo-6-[1H-indol-3-yl(phenyl)methyl]phenol
CID 172802738
(1R,2R)-2-(1H-indol-3-yl)-1,2-diphenylethanol
CID 15981834
1-(1H-indol-3-yl)-N-methyl-1-phenylmethanamine
CID 11322318
1-benzyl-3-[1H-indol-3-yl(phenyl)methyl]indole
CID 132990308
3-[(2,4-dimethoxyphenyl)-phenylmethyl]-1H-indole
CID 72701742
2-[1H-indol-3-yl-(4-methylphenyl)methyl]-3-methyl-1H-indole
CID 134975119
3-propan-2-yl-1H-indole
CID 12534824

Frequently Asked Questions

What is the IUPAC name of 3-[phenyl(1H-pyrrol-2-yl)methyl]-1H-indole?
The IUPAC name of 3-[phenyl(1H-pyrrol-2-yl)methyl]-1H-indole (CID 57468591) is 3-[phenyl(1H-pyrrol-2-yl)methyl]-1H-indole.
What is the SMILES notation for 3-[phenyl(1H-pyrrol-2-yl)methyl]-1H-indole?
The canonical SMILES for 3-[phenyl(1H-pyrrol-2-yl)methyl]-1H-indole is c1ccc(C(c2ccc[nH]2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 3-[phenyl(1H-pyrrol-2-yl)methyl]-1H-indole?
The InChIKey is YNXQFTRXECFRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2/c1-2-7-14(8-3-1)19(18-11-6-12-20-18)16-13-21-17-10-5-4-9-15(16)17/h1-13,19-21H.
What are the key properties of 3-[phenyl(1H-pyrrol-2-yl)methyl]-1H-indole?
3-[phenyl(1H-pyrrol-2-yl)methyl]-1H-indole has a molecular weight of 272.35 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[phenyl(1H-pyrrol-2-yl)methyl]-1H-indole is sourced from PubChem (CID 57468591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).