6,7-bis(1H-pyrrol-2-yl)naphthalene-2,3-dicarbonitrile

C20H12N4 — CID 162415455

IUPAC6,7-bis(1H-pyrrol-2-yl)naphthalene-2,3-dicarbonitrile
SMILESN#Cc1cc2cc(-c3ccc[nH]3)c(-c3ccc[nH]3)cc2cc1C#N
InChIInChI=1S/C20H12N4/c21-11-15-7-13-9-17(19-3-1-5-23-19)18(20-4-2-6-24-20)10-14(13)8-16(15)12-22/h1-10,23-24H
InChIKeyFFQNVIQUKMSOHS-UHFFFAOYSA-N
MW308.34 g/mol
LogP4.57
Rot. Bonds2

About 6,7-bis(1H-pyrrol-2-yl)naphthalene-2,3-dicarbonitrile

6,7-bis(1H-pyrrol-2-yl)naphthalene-2,3-dicarbonitrile (PubChem CID 162415455) has the molecular formula C20H12N4 and a molecular weight of 308.34 g/mol. Its IUPAC name is 6,7-bis(1H-pyrrol-2-yl)naphthalene-2,3-dicarbonitrile.

Molecular Properties

Compound Name6,7-bis(1H-pyrrol-2-yl)naphthalene-2,3-dicarbonitrile
PubChem CID162415455
Molecular FormulaC20H12N4
Molecular Weight308.34 g/mol
Exact Mass308.11
IUPAC Name6,7-bis(1H-pyrrol-2-yl)naphthalene-2,3-dicarbonitrile
SMILESN#Cc1cc2cc(-c3ccc[nH]3)c(-c3ccc[nH]3)cc2cc1C#N
InChIInChI=1S/C20H12N4/c21-11-15-7-13-9-17(19-3-1-5-23-19)18(20-4-2-6-24-20)10-14(13)8-16(15)12-22/h1-10,23-24H
InChIKeyFFQNVIQUKMSOHS-UHFFFAOYSA-N
XLogP4.57
TPSA79.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-bis(1H-pyrrol-2-yl)naphthalene-2,3-dicarbonitrile?
The IUPAC name of 6,7-bis(1H-pyrrol-2-yl)naphthalene-2,3-dicarbonitrile (CID 162415455) is 6,7-bis(1H-pyrrol-2-yl)naphthalene-2,3-dicarbonitrile.
What is the SMILES notation for 6,7-bis(1H-pyrrol-2-yl)naphthalene-2,3-dicarbonitrile?
The canonical SMILES for 6,7-bis(1H-pyrrol-2-yl)naphthalene-2,3-dicarbonitrile is N#Cc1cc2cc(-c3ccc[nH]3)c(-c3ccc[nH]3)cc2cc1C#N.
What is the InChIKey of 6,7-bis(1H-pyrrol-2-yl)naphthalene-2,3-dicarbonitrile?
The InChIKey is FFQNVIQUKMSOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N4/c21-11-15-7-13-9-17(19-3-1-5-23-19)18(20-4-2-6-24-20)10-14(13)8-16(15)12-22/h1-10,23-24H.
What are the key properties of 6,7-bis(1H-pyrrol-2-yl)naphthalene-2,3-dicarbonitrile?
6,7-bis(1H-pyrrol-2-yl)naphthalene-2,3-dicarbonitrile has a molecular weight of 308.34 g/mol, XLogP of 4.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis(1H-pyrrol-2-yl)naphthalene-2,3-dicarbonitrile is sourced from PubChem (CID 162415455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).