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

C38H24N4O — CID 142491071

IUPAC2,4-diphenyl-6-[1-(4-pyridin-2-ylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5ccccn5)cc4)c4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C38H24N4O/c1-3-11-27(12-4-1)36-40-37(28-13-5-2-6-14-28)42-38(41-36)29-23-31(35-30-15-7-8-17-33(30)43-34(35)24-29)25-18-20-26(21-19-25)32-16-9-10-22-39-32/h1-24H
InChIKeyWTDMAERGEZNLPM-UHFFFAOYSA-N
MW552.64 g/mol
LogP9.50
Rot. Bonds5

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

2,4-diphenyl-6-[1-(4-pyridin-2-ylphenyl)dibenzofuran-3-yl]-1,3,5-triazine (PubChem CID 142491071) has the molecular formula C38H24N4O and a molecular weight of 552.64 g/mol. Its IUPAC name is 2,4-diphenyl-6-[1-(4-pyridin-2-ylphenyl)dibenzofuran-3-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[1-(4-pyridin-2-ylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
PubChem CID142491071
Molecular FormulaC38H24N4O
Molecular Weight552.64 g/mol
Exact Mass552.20
IUPAC Name2,4-diphenyl-6-[1-(4-pyridin-2-ylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5ccccn5)cc4)c4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C38H24N4O/c1-3-11-27(12-4-1)36-40-37(28-13-5-2-6-14-28)42-38(41-36)29-23-31(35-30-15-7-8-17-33(30)43-34(35)24-29)25-18-20-26(21-19-25)32-16-9-10-22-39-32/h1-24H
InChIKeyWTDMAERGEZNLPM-UHFFFAOYSA-N
XLogP9.50
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.64
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-4,6-bis(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 155380232
2-dibenzofuran-3-yl-4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 174259532
2-(3,5-diphenylphenyl)-4-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 174259251
2-phenyl-4-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 162450867
2,4-diphenyl-6-[3-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 148977873
2-dibenzofuran-4-yl-4-phenyl-6-[8-(4-pyridin-2-ylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142353224
2-[4-(3-naphthalen-1-yldibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 177112661
2-dibenzofuran-3-yl-4-(1-phenyldibenzofuran-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 147701986
2-(3,5-diphenylphenyl)-4-(1-phenyldibenzofuran-3-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174259859
2-chrysen-2-yl-4-(1-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 174259613
2-(4-naphthalen-2-ylphenyl)-4-(1-phenyldibenzofuran-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 174259770
2,4-diphenyl-6-[3-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166742275

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[1-(4-pyridin-2-ylphenyl)dibenzofuran-3-yl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[1-(4-pyridin-2-ylphenyl)dibenzofuran-3-yl]-1,3,5-triazine (CID 142491071) is 2,4-diphenyl-6-[1-(4-pyridin-2-ylphenyl)dibenzofuran-3-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[1-(4-pyridin-2-ylphenyl)dibenzofuran-3-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[1-(4-pyridin-2-ylphenyl)dibenzofuran-3-yl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5ccccn5)cc4)c4c(c3)oc3ccccc34)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[1-(4-pyridin-2-ylphenyl)dibenzofuran-3-yl]-1,3,5-triazine?
The InChIKey is WTDMAERGEZNLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4O/c1-3-11-27(12-4-1)36-40-37(28-13-5-2-6-14-28)42-38(41-36)29-23-31(35-30-15-7-8-17-33(30)43-34(35)24-29)25-18-20-26(21-19-25)32-16-9-10-22-39-32/h1-24H.
What are the key properties of 2,4-diphenyl-6-[1-(4-pyridin-2-ylphenyl)dibenzofuran-3-yl]-1,3,5-triazine?
2,4-diphenyl-6-[1-(4-pyridin-2-ylphenyl)dibenzofuran-3-yl]-1,3,5-triazine has a molecular weight of 552.64 g/mol, XLogP of 9.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[1-(4-pyridin-2-ylphenyl)dibenzofuran-3-yl]-1,3,5-triazine is sourced from PubChem (CID 142491071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).