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

C51H29N3OS2 — CID 170192733

IUPAC2-dibenzofuran-3-yl-4-[6-(2-dibenzothiophen-3-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc4c(c3)sc3c(-c5ccccc5-c5ccc6c(c5)sc5ccccc56)cccc34)n2)cc1
InChIInChI=1S/C51H29N3OS2/c1-2-11-30(12-3-1)49-52-50(32-22-24-37-36-15-6-8-19-43(36)55-44(37)27-32)54-51(53-49)33-23-26-40-42-18-10-17-41(48(42)57-47(40)29-33)35-14-5-4-13-34(35)31-21-25-39-38-16-7-9-20-45(38)56-46(39)28-31/h1-29H
InChIKeyJZIBCQDZNSHGQE-UHFFFAOYSA-N
MW763.95 g/mol
LogP14.84
Rot. Bonds5

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

2-dibenzofuran-3-yl-4-[6-(2-dibenzothiophen-3-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine (PubChem CID 170192733) has the molecular formula C51H29N3OS2 and a molecular weight of 763.95 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-[6-(2-dibenzothiophen-3-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-[6-(2-dibenzothiophen-3-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine
PubChem CID170192733
Molecular FormulaC51H29N3OS2
Molecular Weight763.95 g/mol
Exact Mass763.18
IUPAC Name2-dibenzofuran-3-yl-4-[6-(2-dibenzothiophen-3-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc4c(c3)sc3c(-c5ccccc5-c5ccc6c(c5)sc5ccccc56)cccc34)n2)cc1
InChIInChI=1S/C51H29N3OS2/c1-2-11-30(12-3-1)49-52-50(32-22-24-37-36-15-6-8-19-43(36)55-44(37)27-32)54-51(53-49)33-23-26-40-42-18-10-17-41(48(42)57-47(40)29-33)35-14-5-4-13-34(35)31-21-25-39-38-16-7-9-20-45(38)56-46(39)28-31/h1-29H
InChIKeyJZIBCQDZNSHGQE-UHFFFAOYSA-N
XLogP14.84
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.95
LogP ≤ 514.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-dibenzofuran-3-yl-4-[6-(2-dibenzofuran-2-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine
CID 170192726
2-[3-[7-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 170193079
2-dibenzofuran-3-yl-4-[9-(2-dibenzothiophen-3-ylphenyl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
CID 170192548
2-[6-(2-dibenzofuran-2-ylphenyl)dibenzothiophen-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170192302
2-dibenzofuran-3-yl-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 154626584
2-[8-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 170192356
2-dibenzofuran-3-yl-4-[8-(2-dibenzothiophen-2-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine
CID 170192686
2-dibenzofuran-3-yl-4-(9-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166952304
2-[9-(2-dibenzothiophen-3-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170191917
2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 139404336
2-[8-(2-dibenzofuran-3-ylphenyl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170192055
2-dibenzofuran-3-yl-4-dibenzothiophen-4-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 170151778

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-[6-(2-dibenzothiophen-3-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-4-[6-(2-dibenzothiophen-3-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine (CID 170192733) is 2-dibenzofuran-3-yl-4-[6-(2-dibenzothiophen-3-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-[6-(2-dibenzothiophen-3-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-4-[6-(2-dibenzothiophen-3-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc4c(c3)sc3c(-c5ccccc5-c5ccc6c(c5)sc5ccccc56)cccc34)n2)cc1.
What is the InChIKey of 2-dibenzofuran-3-yl-4-[6-(2-dibenzothiophen-3-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine?
The InChIKey is JZIBCQDZNSHGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H29N3OS2/c1-2-11-30(12-3-1)49-52-50(32-22-24-37-36-15-6-8-19-43(36)55-44(37)27-32)54-51(53-49)33-23-26-40-42-18-10-17-41(48(42)57-47(40)29-33)35-14-5-4-13-34(35)31-21-25-39-38-16-7-9-20-45(38)56-46(39)28-31/h1-29H.
What are the key properties of 2-dibenzofuran-3-yl-4-[6-(2-dibenzothiophen-3-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine?
2-dibenzofuran-3-yl-4-[6-(2-dibenzothiophen-3-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine has a molecular weight of 763.95 g/mol, XLogP of 14.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-yl-4-[6-(2-dibenzothiophen-3-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 170192733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).