2-dibenzofuran-3-yl-5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3,6-diphenylpyrazine

C49H31N5O — CID 156509413

IUPAC2-dibenzofuran-3-yl-5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3,6-diphenylpyrazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)c(-c3ccccc3)nc2-c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)cc1
InChIInChI=1S/C49H31N5O/c1-3-13-33(14-4-1)46-48(35-23-21-32(22-24-35)37-29-42(40-18-9-11-27-50-40)52-43(30-37)41-19-10-12-28-51-41)53-47(34-15-5-2-6-16-34)49(54-46)36-25-26-39-38-17-7-8-20-44(38)55-45(39)31-36/h1-31H
InChIKeyJJMHRQPCHVTONG-UHFFFAOYSA-N
MW705.82 g/mol
LogP12.23
Rot. Bonds7

About 2-dibenzofuran-3-yl-5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3,6-diphenylpyrazine

2-dibenzofuran-3-yl-5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3,6-diphenylpyrazine (PubChem CID 156509413) has the molecular formula C49H31N5O and a molecular weight of 705.82 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3,6-diphenylpyrazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3,6-diphenylpyrazine
PubChem CID156509413
Molecular FormulaC49H31N5O
Molecular Weight705.82 g/mol
Exact Mass705.25
IUPAC Name2-dibenzofuran-3-yl-5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3,6-diphenylpyrazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)c(-c3ccccc3)nc2-c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)cc1
InChIInChI=1S/C49H31N5O/c1-3-13-33(14-4-1)46-48(35-23-21-32(22-24-35)37-29-42(40-18-9-11-27-50-40)52-43(30-37)41-19-10-12-28-51-41)53-47(34-15-5-2-6-16-34)49(54-46)36-25-26-39-38-17-7-8-20-44(38)55-45(39)31-36/h1-31H
InChIKeyJJMHRQPCHVTONG-UHFFFAOYSA-N
XLogP12.23
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.82
LogP ≤ 512.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-(3-phenylphenyl)-[1]benzofuro[2,3-c]quinoline
CID 162256176
6-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 164816907
14-[3-[4-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123598
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-(3,5-dipyridin-2-ylphenyl)-2-phenylpyrimidine
CID 171585229
4-[10-(2,6-dipyridin-2-yl-4-pyridinyl)anthracen-9-yl]-2,6-dipyridin-2-ylpyridine;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine;2,4,6-tripyridin-2-ylpyridine
CID 161380228
4-dibenzofuran-3-yl-6-(3,5-diphenylphenyl)pyrimidine
CID 155079111
4-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-2,6-diphenylpyridine
CID 138651380
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-2-[4-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 130262495
4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine
CID 15788654
4-[4-(12-phenylchrysen-6-yl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 155655346
4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine
CID 171583122
2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138729899

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3,6-diphenylpyrazine?
The IUPAC name of 2-dibenzofuran-3-yl-5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3,6-diphenylpyrazine (CID 156509413) is 2-dibenzofuran-3-yl-5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3,6-diphenylpyrazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3,6-diphenylpyrazine?
The canonical SMILES for 2-dibenzofuran-3-yl-5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3,6-diphenylpyrazine is c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)c(-c3ccccc3)nc2-c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)cc1.
What is the InChIKey of 2-dibenzofuran-3-yl-5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3,6-diphenylpyrazine?
The InChIKey is JJMHRQPCHVTONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N5O/c1-3-13-33(14-4-1)46-48(35-23-21-32(22-24-35)37-29-42(40-18-9-11-27-50-40)52-43(30-37)41-19-10-12-28-51-41)53-47(34-15-5-2-6-16-34)49(54-46)36-25-26-39-38-17-7-8-20-44(38)55-45(39)31-36/h1-31H.
What are the key properties of 2-dibenzofuran-3-yl-5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3,6-diphenylpyrazine?
2-dibenzofuran-3-yl-5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3,6-diphenylpyrazine has a molecular weight of 705.82 g/mol, XLogP of 12.23, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-yl-5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3,6-diphenylpyrazine is sourced from PubChem (CID 156509413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).