2-[6,8-bis(4-pyridin-2-ylphenyl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine

C49H31N5O — CID 137496815

IUPAC2-[6,8-bis(4-pyridin-2-ylphenyl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5c(-c6ccc(-c7ccccn7)cc6)cc(-c6ccc(-c7ccccn7)cc6)cc5c4c3)n2)cc1
InChIInChI=1S/C49H31N5O/c1-3-11-36(12-4-1)47-52-48(37-13-5-2-6-14-37)54-49(53-47)38-25-26-45-41(29-38)42-31-39(32-17-21-34(22-18-32)43-15-7-9-27-50-43)30-40(46(42)55-45)33-19-23-35(24-20-33)44-16-8-10-28-51-44/h1-31H
InChIKeyFRDDFZGEMDOIAH-UHFFFAOYSA-N
MW705.82 g/mol
LogP12.23
Rot. Bonds7

About 2-[6,8-bis(4-pyridin-2-ylphenyl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine

2-[6,8-bis(4-pyridin-2-ylphenyl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 137496815) has the molecular formula C49H31N5O and a molecular weight of 705.82 g/mol. Its IUPAC name is 2-[6,8-bis(4-pyridin-2-ylphenyl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[6,8-bis(4-pyridin-2-ylphenyl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID137496815
Molecular FormulaC49H31N5O
Molecular Weight705.82 g/mol
Exact Mass705.25
IUPAC Name2-[6,8-bis(4-pyridin-2-ylphenyl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5c(-c6ccc(-c7ccccn7)cc6)cc(-c6ccc(-c7ccccn7)cc6)cc5c4c3)n2)cc1
InChIInChI=1S/C49H31N5O/c1-3-11-36(12-4-1)47-52-48(37-13-5-2-6-14-37)54-49(53-47)38-25-26-45-41(29-38)42-31-39(32-17-21-34(22-18-32)43-15-7-9-27-50-43)30-40(46(42)55-45)33-19-23-35(24-20-33)44-16-8-10-28-51-44/h1-31H
InChIKeyFRDDFZGEMDOIAH-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

Analyze 2-[6,8-bis(4-pyridin-2-ylphenyl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-[3-(2,8-diphenyldibenzofuran-4-yl)phenyl]pyridine
CID 153423338
2-dibenzofuran-4-yl-4-phenyl-6-[8-(4-pyridin-2-ylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142353224
4-(4-dibenzofuran-2-ylphenyl)-6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidine
CID 130262632
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-2-[4-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 130262495
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-(3,5-dipyridin-2-ylphenyl)-2-phenylpyrimidine
CID 171585229
2-phenyl-4-[6-(4-phenylphenyl)dibenzofuran-2-yl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164797229
2,4-diphenyl-6-[1-(4-pyridin-2-ylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 142491071
2,4-diphenyl-6-[3-phenyl-5-(4-phenyldibenzofuran-2-yl)phenyl]-1,3,5-triazine
CID 146369018
2-phenyl-4-[4-(8-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850254
2-[6,8-di(dibenzofuran-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 137496784
2,4-diphenyl-6-[4-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine
CID 164834906
2,4-diphenyl-6-[4-[2-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]dibenzofuran-4-yl]phenyl]pyrimidine
CID 153289566

Frequently Asked Questions

What is the IUPAC name of 2-[6,8-bis(4-pyridin-2-ylphenyl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[6,8-bis(4-pyridin-2-ylphenyl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine (CID 137496815) is 2-[6,8-bis(4-pyridin-2-ylphenyl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[6,8-bis(4-pyridin-2-ylphenyl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[6,8-bis(4-pyridin-2-ylphenyl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5c(-c6ccc(-c7ccccn7)cc6)cc(-c6ccc(-c7ccccn7)cc6)cc5c4c3)n2)cc1.
What is the InChIKey of 2-[6,8-bis(4-pyridin-2-ylphenyl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is FRDDFZGEMDOIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N5O/c1-3-11-36(12-4-1)47-52-48(37-13-5-2-6-14-37)54-49(53-47)38-25-26-45-41(29-38)42-31-39(32-17-21-34(22-18-32)43-15-7-9-27-50-43)30-40(46(42)55-45)33-19-23-35(24-20-33)44-16-8-10-28-51-44/h1-31H.
What are the key properties of 2-[6,8-bis(4-pyridin-2-ylphenyl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine?
2-[6,8-bis(4-pyridin-2-ylphenyl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine 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-[6,8-bis(4-pyridin-2-ylphenyl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 137496815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).