2-[2-[6-(3,5-dipyridin-4-ylphenyl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

C49H31N5O — CID 171761227

IUPAC2-[2-[6-(3,5-dipyridin-4-ylphenyl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3cccc4c3oc3c(-c5cc(-c6ccncc6)cc(-c6ccncc6)c5)cccc34)n2)cc1
InChIInChI=1S/C49H31N5O/c1-3-11-34(12-4-1)47-52-48(35-13-5-2-6-14-35)54-49(53-47)44-16-8-7-15-40(44)41-18-10-20-43-42-19-9-17-39(45(42)55-46(41)43)38-30-36(32-21-25-50-26-22-32)29-37(31-38)33-23-27-51-28-24-33/h1-31H
InChIKeyQVLNUPCMAMFWES-UHFFFAOYSA-N
MW705.82 g/mol
LogP12.23
Rot. Bonds7

About 2-[2-[6-(3,5-dipyridin-4-ylphenyl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

2-[2-[6-(3,5-dipyridin-4-ylphenyl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 171761227) has the molecular formula C49H31N5O and a molecular weight of 705.82 g/mol. Its IUPAC name is 2-[2-[6-(3,5-dipyridin-4-ylphenyl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[2-[6-(3,5-dipyridin-4-ylphenyl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID171761227
Molecular FormulaC49H31N5O
Molecular Weight705.82 g/mol
Exact Mass705.25
IUPAC Name2-[2-[6-(3,5-dipyridin-4-ylphenyl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3cccc4c3oc3c(-c5cc(-c6ccncc6)cc(-c6ccncc6)c5)cccc34)n2)cc1
InChIInChI=1S/C49H31N5O/c1-3-11-34(12-4-1)47-52-48(35-13-5-2-6-14-35)54-49(53-47)44-16-8-7-15-40(44)41-18-10-20-43-42-19-9-17-39(45(42)55-46(41)43)38-30-36(32-21-25-50-26-22-32)29-37(31-38)33-23-27-51-28-24-33/h1-31H
InChIKeyQVLNUPCMAMFWES-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-[2-[6-(3,5-dipyridin-4-ylphenyl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 130261983
2,4-diphenyl-6-[6-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-yl]-1,3,5-triazine
CID 171414948
2-phenyl-4-(3-phenylphenyl)-6-[3-phenyl-5-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 118650966
2,4-diphenyl-6-[2-[6-(4-pyridin-3-ylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 171761124
2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 164797297
2-phenyl-4-(3-phenylphenyl)-6-[4-[6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 177144922
2-phenyl-4,6-bis[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 139549183
4-[4-(6-phenyldibenzofuran-4-yl)phenyl]pyridine
CID 171761226
2-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176817618
2,4-diphenyl-6-[4-[8-phenyl-6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 164838394
2-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 176817768
4-dibenzofuran-4-yl-2-phenyl-6-(3-phenyl-5-pyridin-4-ylphenyl)pyrimidine
CID 154950185

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-(3,5-dipyridin-4-ylphenyl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[2-[6-(3,5-dipyridin-4-ylphenyl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 171761227) is 2-[2-[6-(3,5-dipyridin-4-ylphenyl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[2-[6-(3,5-dipyridin-4-ylphenyl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[2-[6-(3,5-dipyridin-4-ylphenyl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3cccc4c3oc3c(-c5cc(-c6ccncc6)cc(-c6ccncc6)c5)cccc34)n2)cc1.
What is the InChIKey of 2-[2-[6-(3,5-dipyridin-4-ylphenyl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is QVLNUPCMAMFWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N5O/c1-3-11-34(12-4-1)47-52-48(35-13-5-2-6-14-35)54-49(53-47)44-16-8-7-15-40(44)41-18-10-20-43-42-19-9-17-39(45(42)55-46(41)43)38-30-36(32-21-25-50-26-22-32)29-37(31-38)33-23-27-51-28-24-33/h1-31H.
What are the key properties of 2-[2-[6-(3,5-dipyridin-4-ylphenyl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[2-[6-(3,5-dipyridin-4-ylphenyl)dibenzofuran-4-yl]phenyl]-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-[2-[6-(3,5-dipyridin-4-ylphenyl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 171761227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).