2-[2-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[g][1,3]benzothiazole

C42H24N4OS — CID 163951664

IUPAC2-[2-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[g][1,3]benzothiazole
SMILESc1ccc(-c2nc3ccc4ccccc4c3s2)c(-c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4oc5ccccc5c34)n2)c1
InChIInChI=1S/C42H24N4OS/c1-2-12-27-24-28(21-20-25(27)10-1)39-44-40(46-41(45-39)33-17-9-19-36-37(33)32-16-7-8-18-35(32)47-36)30-14-5-6-15-31(30)42-43-34-23-22-26-11-3-4-13-29(26)38(34)48-42/h1-24H
InChIKeyRZVRBSOYWYXIDP-UHFFFAOYSA-N
MW632.75 g/mol
LogP11.36
Rot. Bonds4

About 2-[2-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[g][1,3]benzothiazole

2-[2-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[g][1,3]benzothiazole (PubChem CID 163951664) has the molecular formula C42H24N4OS and a molecular weight of 632.75 g/mol. Its IUPAC name is 2-[2-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[g][1,3]benzothiazole.

Molecular Properties

Compound Name2-[2-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[g][1,3]benzothiazole
PubChem CID163951664
Molecular FormulaC42H24N4OS
Molecular Weight632.75 g/mol
Exact Mass632.17
IUPAC Name2-[2-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[g][1,3]benzothiazole
SMILESc1ccc(-c2nc3ccc4ccccc4c3s2)c(-c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4oc5ccccc5c34)n2)c1
InChIInChI=1S/C42H24N4OS/c1-2-12-27-24-28(21-20-25(27)10-1)39-44-40(46-41(45-39)33-17-9-19-36-37(33)32-16-7-8-18-35(32)47-36)30-14-5-6-15-31(30)42-43-34-23-22-26-11-3-4-13-29(26)38(34)48-42/h1-24H
InChIKeyRZVRBSOYWYXIDP-UHFFFAOYSA-N
XLogP11.36
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.75
LogP ≤ 511.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3,5-triazine
CID 171607648
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 166743692
2-dibenzofuran-1-yl-4-(7-dibenzofuran-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 167008364
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(25-thiahexacyclo[12.11.0.02,11.03,8.015,24.018,23]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaen-13-yl)-1,3,5-triazine
CID 163519899
10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazole
CID 170396419
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164972990
8-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole
CID 168739874
2-(7-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 146918323
2-dibenzofuran-1-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 170927804
2-dibenzofuran-1-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 164747858
2-(4-dibenzofuran-1-ylphenyl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 171054302
2,4-di(dibenzofuran-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 163874534

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[g][1,3]benzothiazole?
The IUPAC name of 2-[2-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[g][1,3]benzothiazole (CID 163951664) is 2-[2-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[g][1,3]benzothiazole.
What is the SMILES notation for 2-[2-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[g][1,3]benzothiazole?
The canonical SMILES for 2-[2-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[g][1,3]benzothiazole is c1ccc(-c2nc3ccc4ccccc4c3s2)c(-c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4oc5ccccc5c34)n2)c1.
What is the InChIKey of 2-[2-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[g][1,3]benzothiazole?
The InChIKey is RZVRBSOYWYXIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N4OS/c1-2-12-27-24-28(21-20-25(27)10-1)39-44-40(46-41(45-39)33-17-9-19-36-37(33)32-16-7-8-18-35(32)47-36)30-14-5-6-15-31(30)42-43-34-23-22-26-11-3-4-13-29(26)38(34)48-42/h1-24H.
What are the key properties of 2-[2-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[g][1,3]benzothiazole?
2-[2-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[g][1,3]benzothiazole has a molecular weight of 632.75 g/mol, XLogP of 11.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[g][1,3]benzothiazole is sourced from PubChem (CID 163951664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).