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

C44H26N4O — CID 164834760

IUPAC4-[7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphtho[1,2-b][1]benzofuran-5-yl]benzonitrile
SMILESN#Cc1ccc(-c2cc3c(oc4cccc(-c5ccc(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)cc5)c43)c3ccccc23)cc1
InChIInChI=1S/C44H26N4O/c45-27-28-14-16-31(17-15-28)36-26-37-43-33(10-7-13-42(43)49-44(37)35-9-2-1-8-34(35)36)30-20-18-29(19-21-30)32-24-40(38-11-3-5-22-46-38)48-41(25-32)39-12-4-6-23-47-39/h1-26H
InChIKeyZCAZVGBWNQAPBH-UHFFFAOYSA-N
MW626.72 g/mol
LogP11.13
Rot. Bonds5

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

4-[7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphtho[1,2-b][1]benzofuran-5-yl]benzonitrile (PubChem CID 164834760) has the molecular formula C44H26N4O and a molecular weight of 626.72 g/mol. Its IUPAC name is 4-[7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphtho[1,2-b][1]benzofuran-5-yl]benzonitrile.

Molecular Properties

Compound Name4-[7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphtho[1,2-b][1]benzofuran-5-yl]benzonitrile
PubChem CID164834760
Molecular FormulaC44H26N4O
Molecular Weight626.72 g/mol
Exact Mass626.21
IUPAC Name4-[7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphtho[1,2-b][1]benzofuran-5-yl]benzonitrile
SMILESN#Cc1ccc(-c2cc3c(oc4cccc(-c5ccc(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)cc5)c43)c3ccccc23)cc1
InChIInChI=1S/C44H26N4O/c45-27-28-14-16-31(17-15-28)36-26-37-43-33(10-7-13-42(43)49-44(37)35-9-2-1-8-34(35)36)30-20-18-29(19-21-30)32-24-40(38-11-3-5-22-46-38)48-41(25-32)39-12-4-6-23-47-39/h1-26H
InChIKeyZCAZVGBWNQAPBH-UHFFFAOYSA-N
XLogP11.13
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.72
LogP ≤ 511.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphtho[1,2-b][1]benzofuran-5-yl]benzonitrile with MolForge

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Related Compounds

7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile
CID 164835003
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-[5-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]benzonitrile
CID 164834764
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-[6-[5-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-1-yl]benzonitrile
CID 146654056
4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile
CID 146654074
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
4-[4-(12-phenylchrysen-6-yl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 155655346
7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile
CID 163984765
2,4-diphenyl-6-[3-(7-pyridin-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine
CID 164834999
4-[4-[2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122364716
4-[9-(4-diphenylphosphorylphenyl)dibenzofuran-2-yl]-2,6-dipyridin-2-ylpyridine
CID 147120675

Frequently Asked Questions

What is the IUPAC name of 4-[7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphtho[1,2-b][1]benzofuran-5-yl]benzonitrile?
The IUPAC name of 4-[7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphtho[1,2-b][1]benzofuran-5-yl]benzonitrile (CID 164834760) is 4-[7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphtho[1,2-b][1]benzofuran-5-yl]benzonitrile.
What is the SMILES notation for 4-[7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphtho[1,2-b][1]benzofuran-5-yl]benzonitrile?
The canonical SMILES for 4-[7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphtho[1,2-b][1]benzofuran-5-yl]benzonitrile is N#Cc1ccc(-c2cc3c(oc4cccc(-c5ccc(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)cc5)c43)c3ccccc23)cc1.
What is the InChIKey of 4-[7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphtho[1,2-b][1]benzofuran-5-yl]benzonitrile?
The InChIKey is ZCAZVGBWNQAPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4O/c45-27-28-14-16-31(17-15-28)36-26-37-43-33(10-7-13-42(43)49-44(37)35-9-2-1-8-34(35)36)30-20-18-29(19-21-30)32-24-40(38-11-3-5-22-46-38)48-41(25-32)39-12-4-6-23-47-39/h1-26H.
What are the key properties of 4-[7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphtho[1,2-b][1]benzofuran-5-yl]benzonitrile?
4-[7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphtho[1,2-b][1]benzofuran-5-yl]benzonitrile has a molecular weight of 626.72 g/mol, XLogP of 11.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphtho[1,2-b][1]benzofuran-5-yl]benzonitrile is sourced from PubChem (CID 164834760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).