2-phenyl-3H-indole;2-phenylpyridine;2-phenyl-3H-pyrrole

C35H29N3 — CID 67402806

IUPAC2-phenyl-3H-indole;2-phenylpyridine;2-phenyl-3H-pyrrole
SMILESC1=CN=C(c2ccccc2)C1.c1ccc(-c2ccccn2)cc1.c1ccc(C2=Nc3ccccc3C2)cc1
InChIInChI=1S/C14H11N.C11H9N.C10H9N/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-5-9(6-3-1)10-7-4-8-11-10/h1-9H,10H2;1-9H;1-6,8H,7H2
InChIKeyJHZOAOSARAMSTL-UHFFFAOYSA-N
MW491.64 g/mol
LogP8.51
Rot. Bonds3

About 2-phenyl-3H-indole;2-phenylpyridine;2-phenyl-3H-pyrrole

2-phenyl-3H-indole;2-phenylpyridine;2-phenyl-3H-pyrrole (PubChem CID 67402806) has the molecular formula C35H29N3 and a molecular weight of 491.64 g/mol. Its IUPAC name is 2-phenyl-3H-indole;2-phenylpyridine;2-phenyl-3H-pyrrole.

Molecular Properties

Compound Name2-phenyl-3H-indole;2-phenylpyridine;2-phenyl-3H-pyrrole
PubChem CID67402806
Molecular FormulaC35H29N3
Molecular Weight491.64 g/mol
Exact Mass491.24
IUPAC Name2-phenyl-3H-indole;2-phenylpyridine;2-phenyl-3H-pyrrole
SMILESC1=CN=C(c2ccccc2)C1.c1ccc(-c2ccccn2)cc1.c1ccc(C2=Nc3ccccc3C2)cc1
InChIInChI=1S/C14H11N.C11H9N.C10H9N/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-5-9(6-3-1)10-7-4-8-11-10/h1-9H,10H2;1-9H;1-6,8H,7H2
InChIKeyJHZOAOSARAMSTL-UHFFFAOYSA-N
XLogP8.51
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.64
LogP ≤ 58.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3H-indole;2-phenylpyridine;2-phenyl-3H-pyrrole?
The IUPAC name of 2-phenyl-3H-indole;2-phenylpyridine;2-phenyl-3H-pyrrole (CID 67402806) is 2-phenyl-3H-indole;2-phenylpyridine;2-phenyl-3H-pyrrole.
What is the SMILES notation for 2-phenyl-3H-indole;2-phenylpyridine;2-phenyl-3H-pyrrole?
The canonical SMILES for 2-phenyl-3H-indole;2-phenylpyridine;2-phenyl-3H-pyrrole is C1=CN=C(c2ccccc2)C1.c1ccc(-c2ccccn2)cc1.c1ccc(C2=Nc3ccccc3C2)cc1.
What is the InChIKey of 2-phenyl-3H-indole;2-phenylpyridine;2-phenyl-3H-pyrrole?
The InChIKey is JHZOAOSARAMSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N.C11H9N.C10H9N/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-5-9(6-3-1)10-7-4-8-11-10/h1-9H,10H2;1-9H;1-6,8H,7H2.
What are the key properties of 2-phenyl-3H-indole;2-phenylpyridine;2-phenyl-3H-pyrrole?
2-phenyl-3H-indole;2-phenylpyridine;2-phenyl-3H-pyrrole has a molecular weight of 491.64 g/mol, XLogP of 8.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3H-indole;2-phenylpyridine;2-phenyl-3H-pyrrole is sourced from PubChem (CID 67402806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).