2-dibenzofuran-4-yl-4-(7-dibenzothiophen-4-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-naphthalen-1-yl-1,3,5-triazine

C49H29N3O2S — CID 167007477

IUPAC2-dibenzofuran-4-yl-4-(7-dibenzothiophen-4-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-naphthalen-1-yl-1,3,5-triazine
SMILESC1=CC2Oc3cc(-c4cccc5c4sc4ccccc45)ccc3C2C(c2nc(-c3cccc4ccccc34)nc(-c3cccc4c3oc3ccccc34)n2)=C1
InChIInChI=1S/C49H29N3O2S/c1-2-13-30-28(11-1)12-7-19-36(30)47-50-48(52-49(51-47)39-21-9-17-34-32-14-3-5-22-40(32)54-45(34)39)38-20-10-23-41-44(38)37-26-25-29(27-42(37)53-41)31-16-8-18-35-33-15-4-6-24-43(33)55-46(31)35/h1-27,41,44H
InChIKeyFQPAYELWKQLWCQ-UHFFFAOYSA-N
MW723.86 g/mol
LogP12.79
Rot. Bonds4

About 2-dibenzofuran-4-yl-4-(7-dibenzothiophen-4-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-naphthalen-1-yl-1,3,5-triazine

2-dibenzofuran-4-yl-4-(7-dibenzothiophen-4-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-naphthalen-1-yl-1,3,5-triazine (PubChem CID 167007477) has the molecular formula C49H29N3O2S and a molecular weight of 723.86 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-(7-dibenzothiophen-4-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-naphthalen-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-(7-dibenzothiophen-4-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-naphthalen-1-yl-1,3,5-triazine
PubChem CID167007477
Molecular FormulaC49H29N3O2S
Molecular Weight723.86 g/mol
Exact Mass723.20
IUPAC Name2-dibenzofuran-4-yl-4-(7-dibenzothiophen-4-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-naphthalen-1-yl-1,3,5-triazine
SMILESC1=CC2Oc3cc(-c4cccc5c4sc4ccccc45)ccc3C2C(c2nc(-c3cccc4ccccc34)nc(-c3cccc4c3oc3ccccc34)n2)=C1
InChIInChI=1S/C49H29N3O2S/c1-2-13-30-28(11-1)12-7-19-36(30)47-50-48(52-49(51-47)39-21-9-17-34-32-14-3-5-22-40(32)54-45(34)39)38-20-10-23-41-44(38)37-26-25-29(27-42(37)53-41)31-16-8-18-35-33-15-4-6-24-43(33)55-46(31)35/h1-27,41,44H
InChIKeyFQPAYELWKQLWCQ-UHFFFAOYSA-N
XLogP12.79
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.86
LogP ≤ 512.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-dibenzofuran-4-yl-4-(7-dibenzothiophen-4-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-naphthalen-1-yl-1,3,5-triazine with MolForge

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Related Compounds

2-(7-dibenzothiophen-4-yl-4a,9b-dihydrodibenzofuran-1-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 167007927
2-dibenzofuran-4-yl-4-dibenzothiophen-4-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 163799019
2-(4-dibenzofuran-4-ylphenyl)-4-dibenzothiophen-4-yl-6-(2-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 165160132
2-dibenzothiophen-2-yl-4-(7-dibenzothiophen-1-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170011885
2-(4-dibenzofuran-4-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazine
CID 130288940
2-chrysen-2-yl-4-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-1,3,5-triazine
CID 170131595
2-(4a,9b-dihydrodibenzofuran-1-yl)-4-chloro-6-naphthalen-1-yl-1,3,5-triazine
CID 167007774
2-dibenzofuran-4-yl-4-naphtho[1,2-b][1]benzothiol-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 163544939
2-(3-dibenzofuran-4-ylphenyl)-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171445309
2-(3-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4,6-diphenyl-1,3,5-triazine
CID 144953430
5-[4-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline
CID 163488405
2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-ylnaphthalen-1-yl)-6-naphthalen-1-yl-1,3,5-triazine
CID 139404337

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-(7-dibenzothiophen-4-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-naphthalen-1-yl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-(7-dibenzothiophen-4-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-naphthalen-1-yl-1,3,5-triazine (CID 167007477) is 2-dibenzofuran-4-yl-4-(7-dibenzothiophen-4-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-naphthalen-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-(7-dibenzothiophen-4-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-naphthalen-1-yl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-(7-dibenzothiophen-4-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-naphthalen-1-yl-1,3,5-triazine is C1=CC2Oc3cc(-c4cccc5c4sc4ccccc45)ccc3C2C(c2nc(-c3cccc4ccccc34)nc(-c3cccc4c3oc3ccccc34)n2)=C1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-(7-dibenzothiophen-4-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-naphthalen-1-yl-1,3,5-triazine?
The InChIKey is FQPAYELWKQLWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3O2S/c1-2-13-30-28(11-1)12-7-19-36(30)47-50-48(52-49(51-47)39-21-9-17-34-32-14-3-5-22-40(32)54-45(34)39)38-20-10-23-41-44(38)37-26-25-29(27-42(37)53-41)31-16-8-18-35-33-15-4-6-24-43(33)55-46(31)35/h1-27,41,44H.
What are the key properties of 2-dibenzofuran-4-yl-4-(7-dibenzothiophen-4-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-naphthalen-1-yl-1,3,5-triazine?
2-dibenzofuran-4-yl-4-(7-dibenzothiophen-4-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-naphthalen-1-yl-1,3,5-triazine has a molecular weight of 723.86 g/mol, XLogP of 12.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-(7-dibenzothiophen-4-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-naphthalen-1-yl-1,3,5-triazine is sourced from PubChem (CID 167007477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).