4-(6-naphtho[2,1-b][1]benzofuran-9-yl-2-pyridinyl)pyridine-2-carbonitrile;2-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-4-carbonitrile;4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-2-carbonitrile;5-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-3-carbonitrile

C111H63N9O4 — CID 158486863

About 4-(6-naphtho[2,1-b][1]benzofuran-9-yl-2-pyridinyl)pyridine-2-carbonitrile;2-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-4-carbonitrile;4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-2-carbonitrile;5-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-3-carbonitrile

4-(6-naphtho[2,1-b][1]benzofuran-9-yl-2-pyridinyl)pyridine-2-carbonitrile;2-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-4-carbonitrile;4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-2-carbonitrile;5-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-3-carbonitrile (PubChem CID 158486863) has the molecular formula C111H63N9O4 and a molecular weight of 1586.78 g/mol. Its IUPAC name is 4-(6-naphtho[2,1-b][1]benzofuran-9-yl-2-pyridinyl)pyridine-2-carbonitrile;2-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-4-carbonitrile;4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-2-carbonitrile;5-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-(6-naphtho[2,1-b][1]benzofuran-9-yl-2-pyridinyl)pyridine-2-carbonitrile;2-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-4-carbonitrile;4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-2-carbonitrile;5-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-3-carbonitrile
• PubChem CID: 158486863
• Molecular Formula: C111H63N9O4
• Molecular Weight: 1586.78 g/mol
• Exact Mass: 1585.50
• IUPAC Name: 4-(6-naphtho[2,1-b][1]benzofuran-9-yl-2-pyridinyl)pyridine-2-carbonitrile;2-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-4-carbonitrile;4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-2-carbonitrile;5-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-3-carbonitrile
• SMILES: N#Cc1cc(-c2ccc3c(c2)oc2cc(-c4ccccc4)c4ccccc4c23)ccn1.N#Cc1cc(-c2cccc(-c3ccc4c(c3)oc3ccc5ccccc5c34)n2)ccn1.N#Cc1ccnc(-c2ccc3c(c2)oc2cc(-c4ccccc4)c4ccccc4c23)c1.N#Cc1cncc(-c2ccc3c(c2)oc2cc(-c4ccccc4)c4ccccc4c23)c1
• InChI: InChI=1S/3C28H16N2O.C27H15N3O/c29-15-18-12-21(17-30-16-18)20-10-11-24-26(13-20)31-27-14-25(19-6-2-1-3-7-19)22-8-4-5-9-23(22)28(24)27;29-17-18-12-13-30-25(14-18)20-10-11-23-26(15-20)31-27-16-24(19-6-2-1-3-7-19)21-8-4-5-9-22(21)28(23)27;29-17-21-14-20(12-13-30-21)19-10-11-24-26(15-19)31-27-16-25(18-6-2-1-3-7-18)22-8-4-5-9-23(22)28(24)27;28-16-20-14-19(12-13-29-20)24-7-3-6-23(30-24)18-8-10-22-26(15-18)31-25-11-9-17-4-1-2-5-21(17)27(22)25/h1-14,16-17H;2*1-16H;1-15H
• InChIKey: HIEYBMJSDHKBQZ-UHFFFAOYSA-N
• XLogP: 28.75
• TPSA: 212.17 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1586.78
LogP ≤ 5	28.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 4-(6-naphtho[2,1-b][1]benzofuran-9-yl-2-pyridinyl)pyridine-2-carbonitrile;2-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-4-carbonitrile;4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-2-carbonitrile;5-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-3-carbonitrile?

The IUPAC name of 4-(6-naphtho[2,1-b][1]benzofuran-9-yl-2-pyridinyl)pyridine-2-carbonitrile;2-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-4-carbonitrile;4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-2-carbonitrile;5-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-3-carbonitrile (CID 158486863) is 4-(6-naphtho[2,1-b][1]benzofuran-9-yl-2-pyridinyl)pyridine-2-carbonitrile;2-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-4-carbonitrile;4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-2-carbonitrile;5-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-3-carbonitrile.

What is the SMILES notation for 4-(6-naphtho[2,1-b][1]benzofuran-9-yl-2-pyridinyl)pyridine-2-carbonitrile;2-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-4-carbonitrile;4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-2-carbonitrile;5-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-3-carbonitrile?

The canonical SMILES for 4-(6-naphtho[2,1-b][1]benzofuran-9-yl-2-pyridinyl)pyridine-2-carbonitrile;2-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-4-carbonitrile;4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-2-carbonitrile;5-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-3-carbonitrile is N#Cc1cc(-c2ccc3c(c2)oc2cc(-c4ccccc4)c4ccccc4c23)ccn1.N#Cc1cc(-c2cccc(-c3ccc4c(c3)oc3ccc5ccccc5c34)n2)ccn1.N#Cc1ccnc(-c2ccc3c(c2)oc2cc(-c4ccccc4)c4ccccc4c23)c1.N#Cc1cncc(-c2ccc3c(c2)oc2cc(-c4ccccc4)c4ccccc4c23)c1.

What is the InChIKey of 4-(6-naphtho[2,1-b][1]benzofuran-9-yl-2-pyridinyl)pyridine-2-carbonitrile;2-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-4-carbonitrile;4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-2-carbonitrile;5-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-3-carbonitrile?

The InChIKey is HIEYBMJSDHKBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C28H16N2O.C27H15N3O/c29-15-18-12-21(17-30-16-18)20-10-11-24-26(13-20)31-27-14-25(19-6-2-1-3-7-19)22-8-4-5-9-23(22)28(24)27;29-17-18-12-13-30-25(14-18)20-10-11-23-26(15-20)31-27-16-24(19-6-2-1-3-7-19)21-8-4-5-9-22(21)28(23)27;29-17-21-14-20(12-13-30-21)19-10-11-24-26(15-19)31-27-16-25(18-6-2-1-3-7-18)22-8-4-5-9-23(22)28(24)27;28-16-20-14-19(12-13-29-20)24-7-3-6-23(30-24)18-8-10-22-26(15-18)31-25-11-9-17-4-1-2-5-21(17)27(22)25/h1-14,16-17H;2*1-16H;1-15H.

What are the key properties of 4-(6-naphtho[2,1-b][1]benzofuran-9-yl-2-pyridinyl)pyridine-2-carbonitrile;2-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-4-carbonitrile;4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-2-carbonitrile;5-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-3-carbonitrile?

4-(6-naphtho[2,1-b][1]benzofuran-9-yl-2-pyridinyl)pyridine-2-carbonitrile;2-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-4-carbonitrile;4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-2-carbonitrile;5-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-3-carbonitrile has a molecular weight of 1586.78 g/mol, XLogP of 28.75, 8 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-naphtho[2,1-b][1]benzofuran-9-yl-2-pyridinyl)pyridine-2-carbonitrile;2-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-4-carbonitrile;4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-2-carbonitrile;5-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 158486863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).