2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-(4-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-1,3,5-triazine

C49H27N3O2S — CID 174198570

IUPAC2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-(4-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-1,3,5-triazine
SMILESc1ccc2c(c1)oc1cc3cc(-c4ccc(-c5nc(-c6cccc7oc8ccccc8c67)nc(-c6cccc7sc8ccccc8c67)n5)cc4)ccc3cc12
InChIInChI=1S/C49H27N3O2S/c1-4-14-39-33(9-1)38-26-31-24-23-30(25-32(31)27-42(38)54-39)28-19-21-29(22-20-28)47-50-48(36-12-7-16-41-45(36)34-10-2-5-15-40(34)53-41)52-49(51-47)37-13-8-18-44-46(37)35-11-3-6-17-43(35)55-44/h1-27H
InChIKeyWSGHVESEHKQNEL-UHFFFAOYSA-N
MW721.84 g/mol
LogP13.86
Rot. Bonds4

About 2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-(4-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-1,3,5-triazine

2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-(4-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-1,3,5-triazine (PubChem CID 174198570) has the molecular formula C49H27N3O2S and a molecular weight of 721.84 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-(4-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-(4-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-1,3,5-triazine
PubChem CID174198570
Molecular FormulaC49H27N3O2S
Molecular Weight721.84 g/mol
Exact Mass721.18
IUPAC Name2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-(4-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-1,3,5-triazine
SMILESc1ccc2c(c1)oc1cc3cc(-c4ccc(-c5nc(-c6cccc7oc8ccccc8c67)nc(-c6cccc7sc8ccccc8c67)n5)cc4)ccc3cc12
InChIInChI=1S/C49H27N3O2S/c1-4-14-39-33(9-1)38-26-31-24-23-30(25-32(31)27-42(38)54-39)28-19-21-29(22-20-28)47-50-48(36-12-7-16-41-45(36)34-10-2-5-15-40(34)53-41)52-49(51-47)37-13-8-18-44-46(37)35-11-3-6-17-43(35)55-44/h1-27H
InChIKeyWSGHVESEHKQNEL-UHFFFAOYSA-N
XLogP13.86
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.84
LogP ≤ 513.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-dibenzofuran-1-ylnaphthalen-2-yl)-4-dibenzothiophen-1-yl-6-naphtho[3,2-b][1]benzofuran-8-yl-1,3,5-triazine
CID 174198311
2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-dibenzothiophen-1-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741718
2-dibenzofuran-1-yl-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174198496
2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-(7-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166743486
2-dibenzofuran-4-yl-4-dibenzothiophen-1-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 163883122
2-dibenzothiophen-1-yl-4-(3-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166741653
2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-1-ylnaphthalen-1-yl)-1,3,5-triazine
CID 163479356
2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174198497
2-dibenzofuran-1-yl-4-phenyl-6-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 155328942
2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazine
CID 174198298
2-(4-naphthalen-1-ylphenyl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 174198592
2-dibenzofuran-1-yl-4-phenyl-6-[4-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171607713

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-(4-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-(4-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-1,3,5-triazine (CID 174198570) is 2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-(4-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-(4-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-(4-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-1,3,5-triazine is c1ccc2c(c1)oc1cc3cc(-c4ccc(-c5nc(-c6cccc7oc8ccccc8c67)nc(-c6cccc7sc8ccccc8c67)n5)cc4)ccc3cc12.
What is the InChIKey of 2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-(4-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-1,3,5-triazine?
The InChIKey is WSGHVESEHKQNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H27N3O2S/c1-4-14-39-33(9-1)38-26-31-24-23-30(25-32(31)27-42(38)54-39)28-19-21-29(22-20-28)47-50-48(36-12-7-16-41-45(36)34-10-2-5-15-40(34)53-41)52-49(51-47)37-13-8-18-44-46(37)35-11-3-6-17-43(35)55-44/h1-27H.
What are the key properties of 2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-(4-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-1,3,5-triazine?
2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-(4-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-1,3,5-triazine has a molecular weight of 721.84 g/mol, XLogP of 13.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-(4-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 174198570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).