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

C51H31N3S2 — CID 170200787

IUPAC2-phenyl-4-[6-(3-phenyldibenzothiophen-1-yl)dibenzothiophen-4-yl]-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4sc4c(-c6cc(-c7ccccc7)cc7sc8ccccc8c67)cccc45)n3)c2)cc1
InChIInChI=1S/C51H31N3S2/c1-4-15-32(16-5-1)35-21-12-22-36(29-35)50-52-49(34-19-8-3-9-20-34)53-51(54-50)42-27-14-25-39-38-24-13-26-40(47(38)56-48(39)42)43-30-37(33-17-6-2-7-18-33)31-45-46(43)41-23-10-11-28-44(41)55-45/h1-31H
InChIKeyJVHLIMRPBKAMGN-UHFFFAOYSA-N
MW749.96 g/mol
LogP14.61
Rot. Bonds6

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

2-phenyl-4-[6-(3-phenyldibenzothiophen-1-yl)dibenzothiophen-4-yl]-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 170200787) has the molecular formula C51H31N3S2 and a molecular weight of 749.96 g/mol. Its IUPAC name is 2-phenyl-4-[6-(3-phenyldibenzothiophen-1-yl)dibenzothiophen-4-yl]-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-[6-(3-phenyldibenzothiophen-1-yl)dibenzothiophen-4-yl]-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID170200787
Molecular FormulaC51H31N3S2
Molecular Weight749.96 g/mol
Exact Mass749.20
IUPAC Name2-phenyl-4-[6-(3-phenyldibenzothiophen-1-yl)dibenzothiophen-4-yl]-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4sc4c(-c6cc(-c7ccccc7)cc7sc8ccccc8c67)cccc45)n3)c2)cc1
InChIInChI=1S/C51H31N3S2/c1-4-15-32(16-5-1)35-21-12-22-36(29-35)50-52-49(34-19-8-3-9-20-34)53-51(54-50)42-27-14-25-39-38-24-13-26-40(47(38)56-48(39)42)43-30-37(33-17-6-2-7-18-33)31-45-46(43)41-23-10-11-28-44(41)55-45/h1-31H
InChIKeyJVHLIMRPBKAMGN-UHFFFAOYSA-N
XLogP14.61
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.96
LogP ≤ 514.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-diphenyl-6-[7-(1-phenyldibenzothiophen-3-yl)dibenzothiophen-4-yl]-1,3,5-triazine
CID 170378405
2-phenyl-4-[6-(3-phenyldibenzothiophen-1-yl)dibenzofuran-4-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170206847
2-(4-dibenzothiophen-4-yl-3-phenylphenyl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 163619693
2-phenyl-4-[6-(3-phenyldibenzofuran-1-yl)dibenzothiophen-4-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170207728
2-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176831433
2,4-di(dibenzothiophen-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 139304948
2-dibenzothiophen-4-yl-4-(3-dibenzothiophen-1-ylphenyl)-6-(4-dibenzothiophen-1-ylphenyl)-1,3,5-triazine
CID 139304158
2-dibenzothiophen-1-yl-4-dibenzothiophen-4-yl-6-(3-dibenzothiophen-1-ylphenyl)-1,3,5-triazine
CID 139305040
2-dibenzothiophen-3-yl-4-(2,6-diphenyldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazine
CID 156574591
2-dibenzothiophen-4-yl-4-phenyl-6-[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155763972
2-(9-dibenzothiophen-1-yldibenzothiophen-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155377527
2-[3-(7,9-diphenyldibenzothiophen-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164884877

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[6-(3-phenyldibenzothiophen-1-yl)dibenzothiophen-4-yl]-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-[6-(3-phenyldibenzothiophen-1-yl)dibenzothiophen-4-yl]-6-(3-phenylphenyl)-1,3,5-triazine (CID 170200787) is 2-phenyl-4-[6-(3-phenyldibenzothiophen-1-yl)dibenzothiophen-4-yl]-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-[6-(3-phenyldibenzothiophen-1-yl)dibenzothiophen-4-yl]-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-[6-(3-phenyldibenzothiophen-1-yl)dibenzothiophen-4-yl]-6-(3-phenylphenyl)-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4sc4c(-c6cc(-c7ccccc7)cc7sc8ccccc8c67)cccc45)n3)c2)cc1.
What is the InChIKey of 2-phenyl-4-[6-(3-phenyldibenzothiophen-1-yl)dibenzothiophen-4-yl]-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is JVHLIMRPBKAMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3S2/c1-4-15-32(16-5-1)35-21-12-22-36(29-35)50-52-49(34-19-8-3-9-20-34)53-51(54-50)42-27-14-25-39-38-24-13-26-40(47(38)56-48(39)42)43-30-37(33-17-6-2-7-18-33)31-45-46(43)41-23-10-11-28-44(41)55-45/h1-31H.
What are the key properties of 2-phenyl-4-[6-(3-phenyldibenzothiophen-1-yl)dibenzothiophen-4-yl]-6-(3-phenylphenyl)-1,3,5-triazine?
2-phenyl-4-[6-(3-phenyldibenzothiophen-1-yl)dibenzothiophen-4-yl]-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 749.96 g/mol, XLogP of 14.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[6-(3-phenyldibenzothiophen-1-yl)dibenzothiophen-4-yl]-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 170200787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).