1-[4-(4-pyrrol-1-ylphenyl)phenyl]pyrrole

C20H16N2 — CID 1253250

IUPAC1-[4-(4-pyrrol-1-ylphenyl)phenyl]pyrrole
SMILESc1ccn(-c2ccc(-c3ccc(-n4cccc4)cc3)cc2)c1
InChIInChI=1S/C20H16N2/c1-2-14-21(13-1)19-9-5-17(6-10-19)18-7-11-20(12-8-18)22-15-3-4-16-22/h1-16H
InChIKeyHVUUTTVQXFHWTC-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.93
Rot. Bonds3

About 1-[4-(4-pyrrol-1-ylphenyl)phenyl]pyrrole

1-[4-(4-pyrrol-1-ylphenyl)phenyl]pyrrole (PubChem CID 1253250) has the molecular formula C20H16N2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[4-(4-pyrrol-1-ylphenyl)phenyl]pyrrole.

Molecular Properties

Compound Name1-[4-(4-pyrrol-1-ylphenyl)phenyl]pyrrole
PubChem CID1253250
Molecular FormulaC20H16N2
Molecular Weight284.36 g/mol
Exact Mass284.13
IUPAC Name1-[4-(4-pyrrol-1-ylphenyl)phenyl]pyrrole
SMILESc1ccn(-c2ccc(-c3ccc(-n4cccc4)cc3)cc2)c1
InChIInChI=1S/C20H16N2/c1-2-14-21(13-1)19-9-5-17(6-10-19)18-7-11-20(12-8-18)22-15-3-4-16-22/h1-16H
InChIKeyHVUUTTVQXFHWTC-UHFFFAOYSA-N
XLogP4.93
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-pyrrol-1-ylphenyl)phenyl]pyrrole?
The IUPAC name of 1-[4-(4-pyrrol-1-ylphenyl)phenyl]pyrrole (CID 1253250) is 1-[4-(4-pyrrol-1-ylphenyl)phenyl]pyrrole.
What is the SMILES notation for 1-[4-(4-pyrrol-1-ylphenyl)phenyl]pyrrole?
The canonical SMILES for 1-[4-(4-pyrrol-1-ylphenyl)phenyl]pyrrole is c1ccn(-c2ccc(-c3ccc(-n4cccc4)cc3)cc2)c1.
What is the InChIKey of 1-[4-(4-pyrrol-1-ylphenyl)phenyl]pyrrole?
The InChIKey is HVUUTTVQXFHWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2/c1-2-14-21(13-1)19-9-5-17(6-10-19)18-7-11-20(12-8-18)22-15-3-4-16-22/h1-16H.
What are the key properties of 1-[4-(4-pyrrol-1-ylphenyl)phenyl]pyrrole?
1-[4-(4-pyrrol-1-ylphenyl)phenyl]pyrrole has a molecular weight of 284.36 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-pyrrol-1-ylphenyl)phenyl]pyrrole is sourced from PubChem (CID 1253250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).