2-dibenzofuran-4-yl-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine

C49H27N3O2 — CID 134198681

IUPAC2-dibenzofuran-4-yl-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4oc5ccc(-c6ccc7c8c(cccc68)-c6ccccc6-7)cc5c34)n2)cc1
InChIInChI=1S/C49H27N3O2/c1-2-11-28(12-3-1)47-50-48(52-49(51-47)39-20-9-18-37-33-15-6-7-21-41(33)54-46(37)39)38-19-10-22-43-45(38)40-27-29(23-26-42(40)53-43)30-24-25-36-32-14-5-4-13-31(32)35-17-8-16-34(30)44(35)36/h1-27H
InChIKeySUDKLADHZZUUNX-UHFFFAOYSA-N
MW689.77 g/mol
LogP13.14
Rot. Bonds4

About 2-dibenzofuran-4-yl-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine

2-dibenzofuran-4-yl-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine (PubChem CID 134198681) has the molecular formula C49H27N3O2 and a molecular weight of 689.77 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
PubChem CID134198681
Molecular FormulaC49H27N3O2
Molecular Weight689.77 g/mol
Exact Mass689.21
IUPAC Name2-dibenzofuran-4-yl-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4oc5ccc(-c6ccc7c8c(cccc68)-c6ccccc6-7)cc5c34)n2)cc1
InChIInChI=1S/C49H27N3O2/c1-2-11-28(12-3-1)47-50-48(52-49(51-47)39-20-9-18-37-33-15-6-7-21-41(33)54-46(37)39)38-19-10-22-43-45(38)40-27-29(23-26-42(40)53-43)30-24-25-36-32-14-5-4-13-31(32)35-17-8-16-34(30)44(35)36/h1-27H
InChIKeySUDKLADHZZUUNX-UHFFFAOYSA-N
XLogP13.14
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.77
LogP ≤ 513.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-4-yl-4-phenyl-6-[8-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 134199121
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 147201996
2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 134199171
2-[8-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 146431714
2,4-bis(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2,4-bis(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-dibenzofuran-4-yl-1,3,5-triazine
CID 165081213
2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 146519914
2-[8-[8-[9-[4-(8-chrysen-2-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]fluoranthen-3-yl]dibenzofuran-1-yl]-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine
CID 155470980
2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[8-[2-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[8-[4-[3-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 158497651
2-(4-naphthalen-1-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-1-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-1-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-1-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-4-yl-6-phenyl-1,3,5-triazine;2-naphtho[2,3-b][1]benzofuran-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine;2-naphtho[2,3-b][1]benzofuran-2-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine;2-naphtho[2,3-b][1]benzofuran-3-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine;2-naphtho[2,3-b][1]benzofuran-4-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 163703326
2-dibenzofuran-4-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 134198762
2-(4-naphthalen-1-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-1-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-1-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-1-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-4-yl-6-phenyl-1,3,5-triazine
CID 163416879
2-dibenzofuran-4-yl-4-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155077824

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine (CID 134198681) is 2-dibenzofuran-4-yl-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4oc5ccc(-c6ccc7c8c(cccc68)-c6ccccc6-7)cc5c34)n2)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is SUDKLADHZZUUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H27N3O2/c1-2-11-28(12-3-1)47-50-48(52-49(51-47)39-20-9-18-37-33-15-6-7-21-41(33)54-46(37)39)38-19-10-22-43-45(38)40-27-29(23-26-42(40)53-43)30-24-25-36-32-14-5-4-13-31(32)35-17-8-16-34(30)44(35)36/h1-27H.
What are the key properties of 2-dibenzofuran-4-yl-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
2-dibenzofuran-4-yl-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 689.77 g/mol, XLogP of 13.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 134198681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).