2-(2,6-dinaphthalen-1-yldibenzothiophen-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine

C53H33N3S — CID 156574588

IUPAC2-(2,6-dinaphthalen-1-yldibenzothiophen-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5cccc6ccccc56)cc5c4sc4c(-c6cccc7ccccc67)cccc45)n3)c2)cc1
InChIInChI=1S/C53H33N3S/c1-3-15-34(16-4-1)38-23-11-24-39(31-38)52-54-51(37-19-5-2-6-20-37)55-53(56-52)48-33-40(43-27-12-21-35-17-7-9-25-41(35)43)32-47-46-30-14-29-45(49(46)57-50(47)48)44-28-13-22-36-18-8-10-26-42(36)44/h1-33H
InChIKeySYYRDDCHPZVCOU-UHFFFAOYSA-N
MW743.94 g/mol
LogP14.55
Rot. Bonds6

About 2-(2,6-dinaphthalen-1-yldibenzothiophen-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine

2-(2,6-dinaphthalen-1-yldibenzothiophen-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 156574588) has the molecular formula C53H33N3S and a molecular weight of 743.94 g/mol. Its IUPAC name is 2-(2,6-dinaphthalen-1-yldibenzothiophen-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(2,6-dinaphthalen-1-yldibenzothiophen-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID156574588
Molecular FormulaC53H33N3S
Molecular Weight743.94 g/mol
Exact Mass743.24
IUPAC Name2-(2,6-dinaphthalen-1-yldibenzothiophen-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5cccc6ccccc56)cc5c4sc4c(-c6cccc7ccccc67)cccc45)n3)c2)cc1
InChIInChI=1S/C53H33N3S/c1-3-15-34(16-4-1)38-23-11-24-39(31-38)52-54-51(37-19-5-2-6-20-37)55-53(56-52)48-33-40(43-27-12-21-35-17-7-9-25-41(35)43)32-47-46-30-14-29-45(49(46)57-50(47)48)44-28-13-22-36-18-8-10-26-42(36)44/h1-33H
InChIKeySYYRDDCHPZVCOU-UHFFFAOYSA-N
XLogP14.55
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.94
LogP ≤ 514.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2,6-bis(4-phenylphenyl)dibenzothiophen-4-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 156574620
2-dibenzothiophen-4-yl-4-(3-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 139441909
2-naphthalen-1-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171592176
2-[3-(2,6-diphenyldibenzothiophen-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 156574562
2-[3-(6,8-diphenyldibenzothiophen-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 164838378
2,4-diphenyl-6-[3-phenyl-5-[6-(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine
CID 118650920
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-(4-naphthalen-1-ylphenyl)-6-[7-[3-[3-[4-[4-(4-phenylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]phenyl]naphthalen-1-yl]-1,3,5-triazine
CID 139441960
2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121311645
2,4-diphenyl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
CID 118650954
2,4,6-tris[3-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine;2,4,6-tris[4-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine
CID 158833777
2-dibenzothiophen-4-yl-4-(3-naphthalen-1-ylphenyl)-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 161018088

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dinaphthalen-1-yldibenzothiophen-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(2,6-dinaphthalen-1-yldibenzothiophen-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (CID 156574588) is 2-(2,6-dinaphthalen-1-yldibenzothiophen-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(2,6-dinaphthalen-1-yldibenzothiophen-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(2,6-dinaphthalen-1-yldibenzothiophen-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5cccc6ccccc56)cc5c4sc4c(-c6cccc7ccccc67)cccc45)n3)c2)cc1.
What is the InChIKey of 2-(2,6-dinaphthalen-1-yldibenzothiophen-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is SYYRDDCHPZVCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3S/c1-3-15-34(16-4-1)38-23-11-24-39(31-38)52-54-51(37-19-5-2-6-20-37)55-53(56-52)48-33-40(43-27-12-21-35-17-7-9-25-41(35)43)32-47-46-30-14-29-45(49(46)57-50(47)48)44-28-13-22-36-18-8-10-26-42(36)44/h1-33H.
What are the key properties of 2-(2,6-dinaphthalen-1-yldibenzothiophen-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
2-(2,6-dinaphthalen-1-yldibenzothiophen-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 743.94 g/mol, XLogP of 14.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dinaphthalen-1-yldibenzothiophen-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 156574588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).