4-[4-[6-(4-tert-butyl-2-pyridinyl)dibenzofuran-4-yl]phenyl]benzonitrile

C34H26N2O — CID 170546327

IUPAC4-[4-[6-(4-tert-butyl-2-pyridinyl)dibenzofuran-4-yl]phenyl]benzonitrile
SMILESCC(C)(C)c1ccnc(-c2cccc3c2oc2c(-c4ccc(-c5ccc(C#N)cc5)cc4)cccc23)c1
InChIInChI=1S/C34H26N2O/c1-34(2,3)26-18-19-36-31(20-26)30-9-5-8-29-28-7-4-6-27(32(28)37-33(29)30)25-16-14-24(15-17-25)23-12-10-22(21-35)11-13-23/h4-20H,1-3H3
InChIKeyGEXMFAQGVGEANP-UHFFFAOYSA-N
MW478.60 g/mol
LogP9.15
Rot. Bonds3

About 4-[4-[6-(4-tert-butyl-2-pyridinyl)dibenzofuran-4-yl]phenyl]benzonitrile

4-[4-[6-(4-tert-butyl-2-pyridinyl)dibenzofuran-4-yl]phenyl]benzonitrile (PubChem CID 170546327) has the molecular formula C34H26N2O and a molecular weight of 478.60 g/mol. Its IUPAC name is 4-[4-[6-(4-tert-butyl-2-pyridinyl)dibenzofuran-4-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[6-(4-tert-butyl-2-pyridinyl)dibenzofuran-4-yl]phenyl]benzonitrile
PubChem CID170546327
Molecular FormulaC34H26N2O
Molecular Weight478.60 g/mol
Exact Mass478.20
IUPAC Name4-[4-[6-(4-tert-butyl-2-pyridinyl)dibenzofuran-4-yl]phenyl]benzonitrile
SMILESCC(C)(C)c1ccnc(-c2cccc3c2oc2c(-c4ccc(-c5ccc(C#N)cc5)cc4)cccc23)c1
InChIInChI=1S/C34H26N2O/c1-34(2,3)26-18-19-36-31(20-26)30-9-5-8-29-28-7-4-6-27(32(28)37-33(29)30)25-16-14-24(15-17-25)23-12-10-22(21-35)11-13-23/h4-20H,1-3H3
InChIKeyGEXMFAQGVGEANP-UHFFFAOYSA-N
XLogP9.15
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.60
LogP ≤ 59.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-2-(6-phenyldibenzofuran-4-yl)pyridine
CID 166573800
2-[6-(4-tert-butylphenyl)dibenzofuran-4-yl]-4-phenylpyridine
CID 166574499
4-tert-butyl-2-(8-tert-butyldibenzofuran-4-yl)pyridine
CID 167425322
4-tert-butyl-2-[6-(3,5-ditert-butylphenyl)dibenzofuran-3-yl]pyridine
CID 166575883
6-(4-tert-butyl-2-pyridinyl)-3-methyl-[1]benzofuro[3,2-c]pyridine
CID 155610480
4-(4-tert-butylphenyl)-2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)pyridine
CID 166043906
4-[6-[3-(3,5-dipyridin-3-ylphenyl)-5-pyridin-3-ylphenyl]dibenzofuran-4-yl]benzonitrile
CID 175610644
8-(4-tert-butyl-2-pyridinyl)-4-phenyl-[1]benzofuro[2,3-c]pyridine
CID 155611309
6-[4-(2,2-dimethylpropyl)-2-pyridinyl]dibenzofuran-4-carbonitrile
CID 170251829
2-(7-benzyldibenzofuran-4-yl)-4-tert-butylpyridine
CID 162709213
3-[6-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]dibenzofuran-3-yl]benzonitrile
CID 170546352
2-tert-butyl-8-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 155611964

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(4-tert-butyl-2-pyridinyl)dibenzofuran-4-yl]phenyl]benzonitrile?
The IUPAC name of 4-[4-[6-(4-tert-butyl-2-pyridinyl)dibenzofuran-4-yl]phenyl]benzonitrile (CID 170546327) is 4-[4-[6-(4-tert-butyl-2-pyridinyl)dibenzofuran-4-yl]phenyl]benzonitrile.
What is the SMILES notation for 4-[4-[6-(4-tert-butyl-2-pyridinyl)dibenzofuran-4-yl]phenyl]benzonitrile?
The canonical SMILES for 4-[4-[6-(4-tert-butyl-2-pyridinyl)dibenzofuran-4-yl]phenyl]benzonitrile is CC(C)(C)c1ccnc(-c2cccc3c2oc2c(-c4ccc(-c5ccc(C#N)cc5)cc4)cccc23)c1.
What is the InChIKey of 4-[4-[6-(4-tert-butyl-2-pyridinyl)dibenzofuran-4-yl]phenyl]benzonitrile?
The InChIKey is GEXMFAQGVGEANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N2O/c1-34(2,3)26-18-19-36-31(20-26)30-9-5-8-29-28-7-4-6-27(32(28)37-33(29)30)25-16-14-24(15-17-25)23-12-10-22(21-35)11-13-23/h4-20H,1-3H3.
What are the key properties of 4-[4-[6-(4-tert-butyl-2-pyridinyl)dibenzofuran-4-yl]phenyl]benzonitrile?
4-[4-[6-(4-tert-butyl-2-pyridinyl)dibenzofuran-4-yl]phenyl]benzonitrile has a molecular weight of 478.60 g/mol, XLogP of 9.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(4-tert-butyl-2-pyridinyl)dibenzofuran-4-yl]phenyl]benzonitrile is sourced from PubChem (CID 170546327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).