2-(7,9-diphenyldibenzothiophen-3-yl)-4-[3-(7-naphthalen-1-yl-5-phenylnaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazine

C65H41N3S — CID 168845066

IUPAC2-(7,9-diphenyldibenzothiophen-3-yl)-4-[3-(7-naphthalen-1-yl-5-phenylnaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)c3c(c2)sc2cc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccc7c(-c8ccccc8)cc(-c8cccc9ccccc89)cc7c6)c5)n4)ccc23)cc1
InChIInChI=1S/C65H41N3S/c1-5-17-42(18-6-1)51-38-59(45-21-9-3-10-22-45)62-57-34-32-50(40-60(57)69-61(62)41-51)65-67-63(46-24-11-4-12-25-46)66-64(68-65)49-28-15-27-47(35-49)48-31-33-56-52(36-48)37-53(39-58(56)44-19-7-2-8-20-44)55-30-16-26-43-23-13-14-29-54(43)55/h1-41H
InChIKeySOQRGGSIKXGILC-UHFFFAOYSA-N
MW896.13 g/mol
LogP17.88
Rot. Bonds8

About 2-(7,9-diphenyldibenzothiophen-3-yl)-4-[3-(7-naphthalen-1-yl-5-phenylnaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazine

2-(7,9-diphenyldibenzothiophen-3-yl)-4-[3-(7-naphthalen-1-yl-5-phenylnaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 168845066) has the molecular formula C65H41N3S and a molecular weight of 896.13 g/mol. Its IUPAC name is 2-(7,9-diphenyldibenzothiophen-3-yl)-4-[3-(7-naphthalen-1-yl-5-phenylnaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(7,9-diphenyldibenzothiophen-3-yl)-4-[3-(7-naphthalen-1-yl-5-phenylnaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazine
PubChem CID168845066
Molecular FormulaC65H41N3S
Molecular Weight896.13 g/mol
Exact Mass895.30
IUPAC Name2-(7,9-diphenyldibenzothiophen-3-yl)-4-[3-(7-naphthalen-1-yl-5-phenylnaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)c3c(c2)sc2cc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccc7c(-c8ccccc8)cc(-c8cccc9ccccc89)cc7c6)c5)n4)ccc23)cc1
InChIInChI=1S/C65H41N3S/c1-5-17-42(18-6-1)51-38-59(45-21-9-3-10-22-45)62-57-34-32-50(40-60(57)69-61(62)41-51)65-67-63(46-24-11-4-12-25-46)66-64(68-65)49-28-15-27-47(35-49)48-31-33-56-52(36-48)37-53(39-58(56)44-19-7-2-8-20-44)55-30-16-26-43-23-13-14-29-54(43)55/h1-41H
InChIKeySOQRGGSIKXGILC-UHFFFAOYSA-N
XLogP17.88
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500896.13
LogP ≤ 517.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-4-[7-(1-phenyldibenzothiophen-3-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170378557
2,4-diphenyl-6-[9-[1-(4-phenylphenyl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 170210147
2-phenanthren-2-yl-4-(9-phenyldibenzothiophen-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9-phenyldibenzothiophen-3-yl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-(9-phenyldibenzothiophen-3-yl)-4-(4-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 165094130
2,4-diphenyl-6-[9-(1-phenyldibenzothiophen-3-yl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 170199264
2-naphthalen-2-yl-4-[4-(1-phenyldibenzothiophen-3-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174328770
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 164797872
4-(3-dibenzothiophen-3-yl-5-phenylphenyl)-2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine
CID 171583030
2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121311645
2-[3,5-di(dibenzothiophen-3-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 163752158
2,4-diphenyl-6-[7-(1-phenyldibenzothiophen-3-yl)dibenzothiophen-4-yl]-1,3,5-triazine
CID 170378405
2-(9-dibenzothiophen-1-yldibenzothiophen-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155377527
2-phenyl-4-[4-(1-phenyldibenzothiophen-3-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850299

Frequently Asked Questions

What is the IUPAC name of 2-(7,9-diphenyldibenzothiophen-3-yl)-4-[3-(7-naphthalen-1-yl-5-phenylnaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(7,9-diphenyldibenzothiophen-3-yl)-4-[3-(7-naphthalen-1-yl-5-phenylnaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazine (CID 168845066) is 2-(7,9-diphenyldibenzothiophen-3-yl)-4-[3-(7-naphthalen-1-yl-5-phenylnaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(7,9-diphenyldibenzothiophen-3-yl)-4-[3-(7-naphthalen-1-yl-5-phenylnaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(7,9-diphenyldibenzothiophen-3-yl)-4-[3-(7-naphthalen-1-yl-5-phenylnaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazine is c1ccc(-c2cc(-c3ccccc3)c3c(c2)sc2cc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccc7c(-c8ccccc8)cc(-c8cccc9ccccc89)cc7c6)c5)n4)ccc23)cc1.
What is the InChIKey of 2-(7,9-diphenyldibenzothiophen-3-yl)-4-[3-(7-naphthalen-1-yl-5-phenylnaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is SOQRGGSIKXGILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H41N3S/c1-5-17-42(18-6-1)51-38-59(45-21-9-3-10-22-45)62-57-34-32-50(40-60(57)69-61(62)41-51)65-67-63(46-24-11-4-12-25-46)66-64(68-65)49-28-15-27-47(35-49)48-31-33-56-52(36-48)37-53(39-58(56)44-19-7-2-8-20-44)55-30-16-26-43-23-13-14-29-54(43)55/h1-41H.
What are the key properties of 2-(7,9-diphenyldibenzothiophen-3-yl)-4-[3-(7-naphthalen-1-yl-5-phenylnaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazine?
2-(7,9-diphenyldibenzothiophen-3-yl)-4-[3-(7-naphthalen-1-yl-5-phenylnaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 896.13 g/mol, XLogP of 17.88, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,9-diphenyldibenzothiophen-3-yl)-4-[3-(7-naphthalen-1-yl-5-phenylnaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 168845066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).