2-naphthalen-2-yl-4-[6-(2-phenylphenyl)dibenzofuran-4-yl]-6-[6-(3-phenylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine

C61H37N3OS — CID 155096659

IUPAC2-naphthalen-2-yl-4-[6-(2-phenylphenyl)dibenzofuran-4-yl]-6-[6-(3-phenylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3cccc4c3sc3c(-c5nc(-c6ccc7ccccc7c6)nc(-c6cccc7c6oc6c(-c8ccccc8-c8ccccc8)cccc67)n5)cccc34)c2)cc1
InChIInChI=1S/C61H37N3OS/c1-3-16-38(17-4-1)42-22-11-23-43(36-42)46-26-12-30-51-52-31-15-33-54(58(52)66-57(46)51)61-63-59(44-35-34-39-18-7-8-21-41(39)37-44)62-60(64-61)53-32-14-29-50-49-28-13-27-48(55(49)65-56(50)53)47-25-10-9-24-45(47)40-19-5-2-6-20-40/h1-37H
InChIKeyJFYYLIDGZSRAKI-UHFFFAOYSA-N
MW860.05 g/mol
LogP16.96
Rot. Bonds7

About 2-naphthalen-2-yl-4-[6-(2-phenylphenyl)dibenzofuran-4-yl]-6-[6-(3-phenylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine

2-naphthalen-2-yl-4-[6-(2-phenylphenyl)dibenzofuran-4-yl]-6-[6-(3-phenylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine (PubChem CID 155096659) has the molecular formula C61H37N3OS and a molecular weight of 860.05 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-[6-(2-phenylphenyl)dibenzofuran-4-yl]-6-[6-(3-phenylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-[6-(2-phenylphenyl)dibenzofuran-4-yl]-6-[6-(3-phenylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine
PubChem CID155096659
Molecular FormulaC61H37N3OS
Molecular Weight860.05 g/mol
Exact Mass859.27
IUPAC Name2-naphthalen-2-yl-4-[6-(2-phenylphenyl)dibenzofuran-4-yl]-6-[6-(3-phenylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3cccc4c3sc3c(-c5nc(-c6ccc7ccccc7c6)nc(-c6cccc7c6oc6c(-c8ccccc8-c8ccccc8)cccc67)n5)cccc34)c2)cc1
InChIInChI=1S/C61H37N3OS/c1-3-16-38(17-4-1)42-22-11-23-43(36-42)46-26-12-30-51-52-31-15-33-54(58(52)66-57(46)51)61-63-59(44-35-34-39-18-7-8-21-41(39)37-44)62-60(64-61)53-32-14-29-50-49-28-13-27-48(55(49)65-56(50)53)47-25-10-9-24-45(47)40-19-5-2-6-20-40/h1-37H
InChIKeyJFYYLIDGZSRAKI-UHFFFAOYSA-N
XLogP16.96
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500860.05
LogP ≤ 516.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 155481433
2-phenyl-4-(3-phenylphenyl)-6-[3-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine
CID 118650922
2-dibenzothiophen-4-yl-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 177119517
2-dibenzofuran-3-yl-4-naphthalen-1-yl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 160738296
2-dibenzothiophen-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441895
2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155481453
2,4-dinaphthalen-2-yl-6-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine
CID 176817925
2-(3-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 164808570
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-[3-(9-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
CID 170214084
2-(3-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)-6-[6-(3-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 164808507
2-dibenzothiophen-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 139441907
2-chloro-4-(7-naphthalen-1-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine;2-chloro-4-[7-(3-naphthalen-2-ylphenyl)dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazine;2-chloro-4-phenyl-6-[7-(3-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine;2-chloro-4-phenyl-6-[7-[2-(3-phenylphenyl)phenyl]dibenzothiophen-4-yl]-1,3,5-triazine
CID 159662397

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-[6-(2-phenylphenyl)dibenzofuran-4-yl]-6-[6-(3-phenylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine?
The IUPAC name of 2-naphthalen-2-yl-4-[6-(2-phenylphenyl)dibenzofuran-4-yl]-6-[6-(3-phenylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine (CID 155096659) is 2-naphthalen-2-yl-4-[6-(2-phenylphenyl)dibenzofuran-4-yl]-6-[6-(3-phenylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-4-[6-(2-phenylphenyl)dibenzofuran-4-yl]-6-[6-(3-phenylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-4-[6-(2-phenylphenyl)dibenzofuran-4-yl]-6-[6-(3-phenylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine is c1ccc(-c2cccc(-c3cccc4c3sc3c(-c5nc(-c6ccc7ccccc7c6)nc(-c6cccc7c6oc6c(-c8ccccc8-c8ccccc8)cccc67)n5)cccc34)c2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-4-[6-(2-phenylphenyl)dibenzofuran-4-yl]-6-[6-(3-phenylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine?
The InChIKey is JFYYLIDGZSRAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37N3OS/c1-3-16-38(17-4-1)42-22-11-23-43(36-42)46-26-12-30-51-52-31-15-33-54(58(52)66-57(46)51)61-63-59(44-35-34-39-18-7-8-21-41(39)37-44)62-60(64-61)53-32-14-29-50-49-28-13-27-48(55(49)65-56(50)53)47-25-10-9-24-45(47)40-19-5-2-6-20-40/h1-37H.
What are the key properties of 2-naphthalen-2-yl-4-[6-(2-phenylphenyl)dibenzofuran-4-yl]-6-[6-(3-phenylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine?
2-naphthalen-2-yl-4-[6-(2-phenylphenyl)dibenzofuran-4-yl]-6-[6-(3-phenylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine has a molecular weight of 860.05 g/mol, XLogP of 16.96, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-4-[6-(2-phenylphenyl)dibenzofuran-4-yl]-6-[6-(3-phenylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine is sourced from PubChem (CID 155096659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).