2-(1,6-diphenyldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine

C39H25N3O — CID 164838475

IUPAC2-(1,6-diphenyldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)c4c3oc3c(-c5ccccc5)cccc34)n2)cc1
InChIInChI=1S/C39H25N3O/c1-5-14-26(15-6-1)30-24-25-33(36-34(30)32-23-13-22-31(35(32)43-36)27-16-7-2-8-17-27)39-41-37(28-18-9-3-10-19-28)40-38(42-39)29-20-11-4-12-21-29/h1-25H
InChIKeyDNYGKSVYSQLVDP-UHFFFAOYSA-N
MW551.65 g/mol
LogP10.11
Rot. Bonds5

About 2-(1,6-diphenyldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine

2-(1,6-diphenyldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 164838475) has the molecular formula C39H25N3O and a molecular weight of 551.65 g/mol. Its IUPAC name is 2-(1,6-diphenyldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(1,6-diphenyldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID164838475
Molecular FormulaC39H25N3O
Molecular Weight551.65 g/mol
Exact Mass551.20
IUPAC Name2-(1,6-diphenyldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)c4c3oc3c(-c5ccccc5)cccc34)n2)cc1
InChIInChI=1S/C39H25N3O/c1-5-14-26(15-6-1)30-24-25-33(36-34(30)32-23-13-22-31(35(32)43-36)27-16-7-2-8-17-27)39-41-37(28-18-9-3-10-19-28)40-38(42-39)29-20-11-4-12-21-29/h1-25H
InChIKeyDNYGKSVYSQLVDP-UHFFFAOYSA-N
XLogP10.11
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.65
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6,9-diphenyldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 164838500
2-phenyl-4-(4-phenyldibenzofuran-1-yl)-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 155477197
2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 164797297
2-[3-(4-naphthalen-1-yl-6-phenyldibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 168721799
2,4-diphenyl-6-[6-(4-phenyldibenzofuran-1-yl)dibenzofuran-4-yl]-1,3,5-triazine
CID 170378330
2,4-diphenyl-6-[3-phenyl-5-[6-(4-phenylphenyl)-1-[3-[4-phenyl-6-[4-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 163937678
2-chloro-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 138505665
2,4-diphenyl-6-[6-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-yl]-1,3,5-triazine
CID 171414948
2-phenyl-4,6-bis[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 139549183
2-[6-(2,6-diphenylphenyl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 163625706
2-dibenzofuran-4-yl-4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155078421
2-[4-[7-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 167424183

Frequently Asked Questions

What is the IUPAC name of 2-(1,6-diphenyldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(1,6-diphenyldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine (CID 164838475) is 2-(1,6-diphenyldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(1,6-diphenyldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(1,6-diphenyldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)c4c3oc3c(-c5ccccc5)cccc34)n2)cc1.
What is the InChIKey of 2-(1,6-diphenyldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is DNYGKSVYSQLVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3O/c1-5-14-26(15-6-1)30-24-25-33(36-34(30)32-23-13-22-31(35(32)43-36)27-16-7-2-8-17-27)39-41-37(28-18-9-3-10-19-28)40-38(42-39)29-20-11-4-12-21-29/h1-25H.
What are the key properties of 2-(1,6-diphenyldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine?
2-(1,6-diphenyldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 551.65 g/mol, XLogP of 10.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,6-diphenyldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 164838475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).