4-phenyl-5-(2-phenylphenyl)-6-[1-(2-phenylphenyl)dibenzofuran-2-yl]triazine

C45H29N3O — CID 166133631

IUPAC4-phenyl-5-(2-phenylphenyl)-6-[1-(2-phenylphenyl)dibenzofuran-2-yl]triazine
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)nnnc2-c2ccc3oc4ccccc4c3c2-c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C45H29N3O/c1-4-16-30(17-5-1)33-22-10-12-24-35(33)41-38(28-29-40-42(41)37-26-14-15-27-39(37)49-40)45-43(44(46-48-47-45)32-20-8-3-9-21-32)36-25-13-11-23-34(36)31-18-6-2-7-19-31/h1-29H
InChIKeyZZZFEEMGIVNXJB-UHFFFAOYSA-N
MW627.75 g/mol
LogP11.77
Rot. Bonds6

About 4-phenyl-5-(2-phenylphenyl)-6-[1-(2-phenylphenyl)dibenzofuran-2-yl]triazine

4-phenyl-5-(2-phenylphenyl)-6-[1-(2-phenylphenyl)dibenzofuran-2-yl]triazine (PubChem CID 166133631) has the molecular formula C45H29N3O and a molecular weight of 627.75 g/mol. Its IUPAC name is 4-phenyl-5-(2-phenylphenyl)-6-[1-(2-phenylphenyl)dibenzofuran-2-yl]triazine.

Molecular Properties

Compound Name4-phenyl-5-(2-phenylphenyl)-6-[1-(2-phenylphenyl)dibenzofuran-2-yl]triazine
PubChem CID166133631
Molecular FormulaC45H29N3O
Molecular Weight627.75 g/mol
Exact Mass627.23
IUPAC Name4-phenyl-5-(2-phenylphenyl)-6-[1-(2-phenylphenyl)dibenzofuran-2-yl]triazine
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)nnnc2-c2ccc3oc4ccccc4c3c2-c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C45H29N3O/c1-4-16-30(17-5-1)33-22-10-12-24-35(33)41-38(28-29-40-42(41)37-26-14-15-27-39(37)49-40)45-43(44(46-48-47-45)32-20-8-3-9-21-32)36-25-13-11-23-34(36)31-18-6-2-7-19-31/h1-29H
InChIKeyZZZFEEMGIVNXJB-UHFFFAOYSA-N
XLogP11.77
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.75
LogP ≤ 511.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-dibenzofuran-1-yl-3,6-diphenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine
CID 166134711
5-dibenzofuran-1-yl-4,6-diphenyltriazine
CID 175810934
4-(2-dibenzofuran-1-yl-6-phenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine
CID 166134431
4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine
CID 175594594
4-phenyl-6-(1-phenyldibenzoselenophen-2-yl)-5-(2-phenylphenyl)triazine
CID 166133463
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-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine
CID 166134551
4-[2-[1-(2,3-dimethyl-4-phenyl-9H-fluoren-1-yl)dibenzofuran-2-yl]phenyl]-5,6-diphenyltriazine
CID 166133942
1-[2-[4-dibenzofuran-1-yl-6-(2-phenylphenyl)triazin-5-yl]-3,6-diphenylphenyl]-9H-carbazole
CID 166134969
4-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine
CID 172700237
2,4-diphenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742294
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-phenyl-6-(2-phenyldibenzofuran-1-yl)phenyl]triazine
CID 166134822

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-(2-phenylphenyl)-6-[1-(2-phenylphenyl)dibenzofuran-2-yl]triazine?
The IUPAC name of 4-phenyl-5-(2-phenylphenyl)-6-[1-(2-phenylphenyl)dibenzofuran-2-yl]triazine (CID 166133631) is 4-phenyl-5-(2-phenylphenyl)-6-[1-(2-phenylphenyl)dibenzofuran-2-yl]triazine.
What is the SMILES notation for 4-phenyl-5-(2-phenylphenyl)-6-[1-(2-phenylphenyl)dibenzofuran-2-yl]triazine?
The canonical SMILES for 4-phenyl-5-(2-phenylphenyl)-6-[1-(2-phenylphenyl)dibenzofuran-2-yl]triazine is c1ccc(-c2ccccc2-c2c(-c3ccccc3)nnnc2-c2ccc3oc4ccccc4c3c2-c2ccccc2-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-5-(2-phenylphenyl)-6-[1-(2-phenylphenyl)dibenzofuran-2-yl]triazine?
The InChIKey is ZZZFEEMGIVNXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3O/c1-4-16-30(17-5-1)33-22-10-12-24-35(33)41-38(28-29-40-42(41)37-26-14-15-27-39(37)49-40)45-43(44(46-48-47-45)32-20-8-3-9-21-32)36-25-13-11-23-34(36)31-18-6-2-7-19-31/h1-29H.
What are the key properties of 4-phenyl-5-(2-phenylphenyl)-6-[1-(2-phenylphenyl)dibenzofuran-2-yl]triazine?
4-phenyl-5-(2-phenylphenyl)-6-[1-(2-phenylphenyl)dibenzofuran-2-yl]triazine has a molecular weight of 627.75 g/mol, XLogP of 11.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-(2-phenylphenyl)-6-[1-(2-phenylphenyl)dibenzofuran-2-yl]triazine is sourced from PubChem (CID 166133631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).