4-[2,3-bis(2-phenylphenyl)dibenzofuran-1-yl]triazine

C39H25N3O — CID 175869417

IUPAC4-[2,3-bis(2-phenylphenyl)dibenzofuran-1-yl]triazine
SMILESc1ccc(-c2ccccc2-c2cc3oc4ccccc4c3c(-c3ccnnn3)c2-c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C39H25N3O/c1-3-13-26(14-4-1)28-17-7-9-19-30(28)33-25-36-38(32-21-11-12-22-35(32)43-36)39(34-23-24-40-42-41-34)37(33)31-20-10-8-18-29(31)27-15-5-2-6-16-27/h1-25H
InChIKeyHUQUSECDDYKWOL-UHFFFAOYSA-N
MW551.65 g/mol
LogP10.11
Rot. Bonds5

About 4-[2,3-bis(2-phenylphenyl)dibenzofuran-1-yl]triazine

4-[2,3-bis(2-phenylphenyl)dibenzofuran-1-yl]triazine (PubChem CID 175869417) has the molecular formula C39H25N3O and a molecular weight of 551.65 g/mol. Its IUPAC name is 4-[2,3-bis(2-phenylphenyl)dibenzofuran-1-yl]triazine.

Molecular Properties

Compound Name4-[2,3-bis(2-phenylphenyl)dibenzofuran-1-yl]triazine
PubChem CID175869417
Molecular FormulaC39H25N3O
Molecular Weight551.65 g/mol
Exact Mass551.20
IUPAC Name4-[2,3-bis(2-phenylphenyl)dibenzofuran-1-yl]triazine
SMILESc1ccc(-c2ccccc2-c2cc3oc4ccccc4c3c(-c3ccnnn3)c2-c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C39H25N3O/c1-3-13-26(14-4-1)28-17-7-9-19-30(28)33-25-36-38(32-21-11-12-22-35(32)43-36)39(34-23-24-40-42-41-34)37(33)31-20-10-8-18-29(31)27-15-5-2-6-16-27/h1-25H
InChIKeyHUQUSECDDYKWOL-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

4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-3-phenyl-2-(2-phenylphenyl)phenyl]triazine
CID 166134319
4-[2,3-bis(1,2,2,3,3,4,4,5,5,6-decadeuteriocyclohexyl)-6-[2-(2-phenylphenyl)dibenzofuran-1-yl]phenyl]triazine
CID 166134096
4-[6-[2,3-bis(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-2,3-diphenylphenyl]triazine
CID 166134357
4-phenyl-5-(2-phenylphenyl)-6-[1-(2-phenylphenyl)dibenzofuran-2-yl]triazine
CID 166133631
4-[3-(2,3-dimethyl-9H-fluoren-1-yl)-1-phenyl-4-(2-phenylphenyl)dibenzofuran-2-yl]triazine
CID 175828120
4-[2-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-3,5,6-triphenylphenyl]triazine
CID 166133716
4-(2-dibenzofuran-1-yl-3,6-diphenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine
CID 166134711
2-dibenzofuran-1-yl-4-[2-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 163862229
3-[10-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]-1-phenyldibenzofuran
CID 170663785
6,35-dioxanonacyclo[25.11.0.02,14.05,13.07,12.015,20.021,26.028,36.029,34]octatriaconta-1(27),2(14),3,5(13),7,9,11,15,17,19,21,23,25,28(36),29,31,33,37-octadecaene
CID 118655954
4-(2-dibenzofuran-1-yl-6-phenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine
CID 166134431
2-naphthalen-2-yl-4-[5-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-3-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 163928791

Frequently Asked Questions

What is the IUPAC name of 4-[2,3-bis(2-phenylphenyl)dibenzofuran-1-yl]triazine?
The IUPAC name of 4-[2,3-bis(2-phenylphenyl)dibenzofuran-1-yl]triazine (CID 175869417) is 4-[2,3-bis(2-phenylphenyl)dibenzofuran-1-yl]triazine.
What is the SMILES notation for 4-[2,3-bis(2-phenylphenyl)dibenzofuran-1-yl]triazine?
The canonical SMILES for 4-[2,3-bis(2-phenylphenyl)dibenzofuran-1-yl]triazine is c1ccc(-c2ccccc2-c2cc3oc4ccccc4c3c(-c3ccnnn3)c2-c2ccccc2-c2ccccc2)cc1.
What is the InChIKey of 4-[2,3-bis(2-phenylphenyl)dibenzofuran-1-yl]triazine?
The InChIKey is HUQUSECDDYKWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3O/c1-3-13-26(14-4-1)28-17-7-9-19-30(28)33-25-36-38(32-21-11-12-22-35(32)43-36)39(34-23-24-40-42-41-34)37(33)31-20-10-8-18-29(31)27-15-5-2-6-16-27/h1-25H.
What are the key properties of 4-[2,3-bis(2-phenylphenyl)dibenzofuran-1-yl]triazine?
4-[2,3-bis(2-phenylphenyl)dibenzofuran-1-yl]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 4-[2,3-bis(2-phenylphenyl)dibenzofuran-1-yl]triazine is sourced from PubChem (CID 175869417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).