7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-phenyl-[1]benzofuro[2,3-b]pyridine

C44H28N4O — CID 164798196

IUPAC7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-phenyl-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5c(c4)oc4nccc(-c6ccccc6)c45)n3)cc2)cc1
InChIInChI=1S/C44H28N4O/c1-4-10-29(11-5-1)31-16-20-34(21-17-31)41-46-42(35-22-18-32(19-23-35)30-12-6-2-7-13-30)48-43(47-41)36-24-25-38-39(28-36)49-44-40(38)37(26-27-45-44)33-14-8-3-9-15-33/h1-28H
InChIKeyGWGQLKKCOVJXMP-UHFFFAOYSA-N
MW628.74 g/mol
LogP11.17
Rot. Bonds6

About 7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-phenyl-[1]benzofuro[2,3-b]pyridine

7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-phenyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 164798196) has the molecular formula C44H28N4O and a molecular weight of 628.74 g/mol. Its IUPAC name is 7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-phenyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-phenyl-[1]benzofuro[2,3-b]pyridine
PubChem CID164798196
Molecular FormulaC44H28N4O
Molecular Weight628.74 g/mol
Exact Mass628.23
IUPAC Name7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-phenyl-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5c(c4)oc4nccc(-c6ccccc6)c45)n3)cc2)cc1
InChIInChI=1S/C44H28N4O/c1-4-10-29(11-5-1)31-16-20-34(21-17-31)41-46-42(35-22-18-32(19-23-35)30-12-6-2-7-13-30)48-43(47-41)36-24-25-38-39(28-36)49-44-40(38)37(26-27-45-44)33-14-8-3-9-15-33/h1-28H
InChIKeyGWGQLKKCOVJXMP-UHFFFAOYSA-N
XLogP11.17
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.74
LogP ≤ 511.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-phenyl-[1]benzofuro[2,3-b]pyridine with MolForge

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Related Compounds

2-phenyl-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797315
2,4-bis(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164798189
12-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-17-oxa-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
CID 163838636
4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-naphthalen-2-yl-[1]benzofuro[2,3-b]pyridine
CID 168785558
7-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 166802118
12-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)-17-oxa-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
CID 163962549
2-dibenzofuran-3-yl-4-(4-dibenzofuran-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139304372
2-(3,5-diphenylphenyl)-4-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 164797691
2-(3,4-diphenylphenyl)-4-(9-phenyldibenzofuran-3-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164797807
2-phenyl-4-[9-(2-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164797827
2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 164797357
2-phenyl-4-(4-phenylphenyl)-6-[7-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 166952902

Frequently Asked Questions

What is the IUPAC name of 7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-phenyl-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-phenyl-[1]benzofuro[2,3-b]pyridine (CID 164798196) is 7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-phenyl-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-phenyl-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-phenyl-[1]benzofuro[2,3-b]pyridine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5c(c4)oc4nccc(-c6ccccc6)c45)n3)cc2)cc1.
What is the InChIKey of 7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-phenyl-[1]benzofuro[2,3-b]pyridine?
The InChIKey is GWGQLKKCOVJXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4O/c1-4-10-29(11-5-1)31-16-20-34(21-17-31)41-46-42(35-22-18-32(19-23-35)30-12-6-2-7-13-30)48-43(47-41)36-24-25-38-39(28-36)49-44-40(38)37(26-27-45-44)33-14-8-3-9-15-33/h1-28H.
What are the key properties of 7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-phenyl-[1]benzofuro[2,3-b]pyridine?
7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-phenyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 628.74 g/mol, XLogP of 11.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-phenyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 164798196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).