7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile

C38H22N4O — CID 164835003

IUPAC7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile
SMILESN#Cc1cc2c(oc3cccc(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)c32)c2ccccc12
InChIInChI=1S/C38H22N4O/c39-23-27-20-31-37-29(10-7-13-36(37)43-38(31)30-9-2-1-8-28(27)30)25-16-14-24(15-17-25)26-21-34(32-11-3-5-18-40-32)42-35(22-26)33-12-4-6-19-41-33/h1-22H
InChIKeyUPICWVJIYYREKX-UHFFFAOYSA-N
MW550.62 g/mol
LogP9.46
Rot. Bonds4

About 7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile

7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile (PubChem CID 164835003) has the molecular formula C38H22N4O and a molecular weight of 550.62 g/mol. Its IUPAC name is 7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile.

Molecular Properties

Compound Name7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile
PubChem CID164835003
Molecular FormulaC38H22N4O
Molecular Weight550.62 g/mol
Exact Mass550.18
IUPAC Name7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile
SMILESN#Cc1cc2c(oc3cccc(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)c32)c2ccccc12
InChIInChI=1S/C38H22N4O/c39-23-27-20-31-37-29(10-7-13-36(37)43-38(31)30-9-2-1-8-28(27)30)25-16-14-24(15-17-25)26-21-34(32-11-3-5-18-40-32)42-35(22-26)33-12-4-6-19-41-33/h1-22H
InChIKeyUPICWVJIYYREKX-UHFFFAOYSA-N
XLogP9.46
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.62
LogP ≤ 59.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphtho[1,2-b][1]benzofuran-5-yl]benzonitrile
CID 164834760
7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile
CID 163984765
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile
CID 164835368
2,4-diphenyl-6-[4-[4-(7-pyridin-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]-1,3,5-triazine
CID 164835177
4-[5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]benzonitrile
CID 164835293
4-[4-[2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122364716
4-[4-(4-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 155079198
2-[4-(4-dibenzofuran-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine
CID 155077948
4-[9-(4-diphenylphosphorylphenyl)dibenzofuran-2-yl]-2,6-dipyridin-2-ylpyridine
CID 147120675
4-[5-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]benzonitrile
CID 164834764
4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122364714
2-[4-[5-(3,5-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176818532

Frequently Asked Questions

What is the IUPAC name of 7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile?
The IUPAC name of 7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile (CID 164835003) is 7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile.
What is the SMILES notation for 7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile?
The canonical SMILES for 7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile is N#Cc1cc2c(oc3cccc(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)c32)c2ccccc12.
What is the InChIKey of 7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile?
The InChIKey is UPICWVJIYYREKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4O/c39-23-27-20-31-37-29(10-7-13-36(37)43-38(31)30-9-2-1-8-28(27)30)25-16-14-24(15-17-25)26-21-34(32-11-3-5-18-40-32)42-35(22-26)33-12-4-6-19-41-33/h1-22H.
What are the key properties of 7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile?
7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile has a molecular weight of 550.62 g/mol, XLogP of 9.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile is sourced from PubChem (CID 164835003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).