1-benzyl-3-phenyl-5-pyrrol-1-ylindole

C25H20N2 — CID 141114506

IUPAC1-benzyl-3-phenyl-5-pyrrol-1-ylindole
SMILESc1ccc(Cn2cc(-c3ccccc3)c3cc(-n4cccc4)ccc32)cc1
InChIInChI=1S/C25H20N2/c1-3-9-20(10-4-1)18-27-19-24(21-11-5-2-6-12-21)23-17-22(13-14-25(23)27)26-15-7-8-16-26/h1-17,19H,18H2
InChIKeyFPLHQGNKJIYXDD-UHFFFAOYSA-N
MW348.45 g/mol
LogP6.15
Rot. Bonds4

About 1-benzyl-3-phenyl-5-pyrrol-1-ylindole

1-benzyl-3-phenyl-5-pyrrol-1-ylindole (PubChem CID 141114506) has the molecular formula C25H20N2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-benzyl-3-phenyl-5-pyrrol-1-ylindole.

Molecular Properties

Compound Name1-benzyl-3-phenyl-5-pyrrol-1-ylindole
PubChem CID141114506
Molecular FormulaC25H20N2
Molecular Weight348.45 g/mol
Exact Mass348.16
IUPAC Name1-benzyl-3-phenyl-5-pyrrol-1-ylindole
SMILESc1ccc(Cn2cc(-c3ccccc3)c3cc(-n4cccc4)ccc32)cc1
InChIInChI=1S/C25H20N2/c1-3-9-20(10-4-1)18-27-19-24(21-11-5-2-6-12-21)23-17-22(13-14-25(23)27)26-15-7-8-16-26/h1-17,19H,18H2
InChIKeyFPLHQGNKJIYXDD-UHFFFAOYSA-N
XLogP6.15
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-(2,6-difluoro-4-pyridinyl)indole
CID 66552989
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CID 159884874
1-benzyl-3-(3,5-dimethoxyphenyl)indole
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2-[5-[(4-benzylpiperazin-1-yl)methyl]-3-phenylindol-1-yl]ethanamine
CID 129193663
1-benzyl-3-(1-benzyl-5,6-dimethoxyindol-3-yl)-5,6-dimethoxyindole
CID 25140580
6-benzyl-8-phenylpyrido[3,4-d]pyridazin-5-one
CID 14241243
2-(1-benzylindol-3-yl)ethanol
CID 13134935
5-(1-benzylindol-3-yl)-1,2-oxazole-3-carboxylic acid
CID 15958516
1-benzyl-3-(6-methylsulfanyl-3-pyridinyl)indole
CID 70702189
5-benzyl-8-ethoxy-3-phenylpyrazolo[4,3-c]quinoline
CID 2135238
1-(3-phenylindol-1-yl)propan-2-amine
CID 154276065
3-(3-aminophenyl)-1-[(4-cyanophenyl)methyl]indole-5-carbonitrile
CID 137375939

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-phenyl-5-pyrrol-1-ylindole?
The IUPAC name of 1-benzyl-3-phenyl-5-pyrrol-1-ylindole (CID 141114506) is 1-benzyl-3-phenyl-5-pyrrol-1-ylindole.
What is the SMILES notation for 1-benzyl-3-phenyl-5-pyrrol-1-ylindole?
The canonical SMILES for 1-benzyl-3-phenyl-5-pyrrol-1-ylindole is c1ccc(Cn2cc(-c3ccccc3)c3cc(-n4cccc4)ccc32)cc1.
What is the InChIKey of 1-benzyl-3-phenyl-5-pyrrol-1-ylindole?
The InChIKey is FPLHQGNKJIYXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2/c1-3-9-20(10-4-1)18-27-19-24(21-11-5-2-6-12-21)23-17-22(13-14-25(23)27)26-15-7-8-16-26/h1-17,19H,18H2.
What are the key properties of 1-benzyl-3-phenyl-5-pyrrol-1-ylindole?
1-benzyl-3-phenyl-5-pyrrol-1-ylindole has a molecular weight of 348.45 g/mol, XLogP of 6.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-phenyl-5-pyrrol-1-ylindole is sourced from PubChem (CID 141114506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).