2-dibenzofuran-4-yl-4-(3-naphthalen-2-yl-5-pyridin-3-ylphenyl)-6-phenyl-1,3,5-triazine

C42H26N4O — CID 154949955

IUPAC2-dibenzofuran-4-yl-4-(3-naphthalen-2-yl-5-pyridin-3-ylphenyl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cc(-c4cccnc4)cc(-c4ccc5ccccc5c4)c3)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C42H26N4O/c1-2-11-28(12-3-1)40-44-41(46-42(45-40)37-17-8-16-36-35-15-6-7-18-38(35)47-39(36)37)34-24-32(23-33(25-34)31-14-9-21-43-26-31)30-20-19-27-10-4-5-13-29(27)22-30/h1-26H
InChIKeyRJRGRQASSFKEPB-UHFFFAOYSA-N
MW602.70 g/mol
LogP10.65
Rot. Bonds5

About 2-dibenzofuran-4-yl-4-(3-naphthalen-2-yl-5-pyridin-3-ylphenyl)-6-phenyl-1,3,5-triazine

2-dibenzofuran-4-yl-4-(3-naphthalen-2-yl-5-pyridin-3-ylphenyl)-6-phenyl-1,3,5-triazine (PubChem CID 154949955) has the molecular formula C42H26N4O and a molecular weight of 602.70 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-(3-naphthalen-2-yl-5-pyridin-3-ylphenyl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-(3-naphthalen-2-yl-5-pyridin-3-ylphenyl)-6-phenyl-1,3,5-triazine
PubChem CID154949955
Molecular FormulaC42H26N4O
Molecular Weight602.70 g/mol
Exact Mass602.21
IUPAC Name2-dibenzofuran-4-yl-4-(3-naphthalen-2-yl-5-pyridin-3-ylphenyl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cc(-c4cccnc4)cc(-c4ccc5ccccc5c4)c3)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C42H26N4O/c1-2-11-28(12-3-1)40-44-41(46-42(45-40)37-17-8-16-36-35-15-6-7-18-38(35)47-39(36)37)34-24-32(23-33(25-34)31-14-9-21-43-26-31)30-20-19-27-10-4-5-13-29(27)22-30/h1-26H
InChIKeyRJRGRQASSFKEPB-UHFFFAOYSA-N
XLogP10.65
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.70
LogP ≤ 510.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155481453
2-[3,5-di(anthracen-1-yl)phenyl]-4-dibenzofuran-4-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 153466365
2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441678
2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 155481433
2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[7-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 139442199
bis(2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine);bis(2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine);2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 159519330
2-dibenzofuran-4-yl-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 139441684
2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[11-(4-pyridin-3-ylphenyl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazine
CID 165150397
2-dibenzofuran-4-yl-4-[2-(6-naphthalen-2-ylphenanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 171732313
2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 155480997
2-dibenzofuran-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155481524
2-dibenzofuran-4-yl-4-(2,3-diphenylphenyl)-6-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845157

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-(3-naphthalen-2-yl-5-pyridin-3-ylphenyl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-(3-naphthalen-2-yl-5-pyridin-3-ylphenyl)-6-phenyl-1,3,5-triazine (CID 154949955) is 2-dibenzofuran-4-yl-4-(3-naphthalen-2-yl-5-pyridin-3-ylphenyl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-(3-naphthalen-2-yl-5-pyridin-3-ylphenyl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-(3-naphthalen-2-yl-5-pyridin-3-ylphenyl)-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3cc(-c4cccnc4)cc(-c4ccc5ccccc5c4)c3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-(3-naphthalen-2-yl-5-pyridin-3-ylphenyl)-6-phenyl-1,3,5-triazine?
The InChIKey is RJRGRQASSFKEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4O/c1-2-11-28(12-3-1)40-44-41(46-42(45-40)37-17-8-16-36-35-15-6-7-18-38(35)47-39(36)37)34-24-32(23-33(25-34)31-14-9-21-43-26-31)30-20-19-27-10-4-5-13-29(27)22-30/h1-26H.
What are the key properties of 2-dibenzofuran-4-yl-4-(3-naphthalen-2-yl-5-pyridin-3-ylphenyl)-6-phenyl-1,3,5-triazine?
2-dibenzofuran-4-yl-4-(3-naphthalen-2-yl-5-pyridin-3-ylphenyl)-6-phenyl-1,3,5-triazine has a molecular weight of 602.70 g/mol, XLogP of 10.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-(3-naphthalen-2-yl-5-pyridin-3-ylphenyl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 154949955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).