4-[3-[6-(3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-3,4-dihydrodibenzofuran-4-yl]-5-phenylphenyl]-2-dibenzofuran-4-yl-6-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine

C61H45N3O2 — CID 146431226

IUPAC4-[3-[6-(3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-3,4-dihydrodibenzofuran-4-yl]-5-phenylphenyl]-2-dibenzofuran-4-yl-6-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine
SMILESC1=CC(C2=CC(c3cccc4c5c(oc34)C(c3cc(-c4ccccc4)cc(C4N=C(c6ccc7ccccc7c6)NC(c6cccc7c6oc6ccccc67)=N4)c3)CC=C5)CC=C2)=CCC1
InChIInChI=1S/C61H45N3O2/c1-3-15-38(16-4-1)42-21-11-22-43(33-42)48-24-12-27-52-53-28-13-25-49(57(53)66-56(48)52)46-35-45(39-17-5-2-6-18-39)36-47(37-46)60-62-59(44-32-31-40-19-7-8-20-41(40)34-44)63-61(64-60)54-29-14-26-51-50-23-9-10-30-55(50)65-58(51)54/h2-3,5-21,23-24,26-37,43,49,60H,1,4,22,25H2,(H,62,63,64)
InChIKeyHFJJNFNJZGHEGD-UHFFFAOYSA-N
MW852.05 g/mol
LogP15.44
Rot. Bonds7

About 4-[3-[6-(3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-3,4-dihydrodibenzofuran-4-yl]-5-phenylphenyl]-2-dibenzofuran-4-yl-6-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine

4-[3-[6-(3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-3,4-dihydrodibenzofuran-4-yl]-5-phenylphenyl]-2-dibenzofuran-4-yl-6-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine (PubChem CID 146431226) has the molecular formula C61H45N3O2 and a molecular weight of 852.05 g/mol. Its IUPAC name is 4-[3-[6-(3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-3,4-dihydrodibenzofuran-4-yl]-5-phenylphenyl]-2-dibenzofuran-4-yl-6-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-[3-[6-(3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-3,4-dihydrodibenzofuran-4-yl]-5-phenylphenyl]-2-dibenzofuran-4-yl-6-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine
PubChem CID146431226
Molecular FormulaC61H45N3O2
Molecular Weight852.05 g/mol
Exact Mass851.35
IUPAC Name4-[3-[6-(3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-3,4-dihydrodibenzofuran-4-yl]-5-phenylphenyl]-2-dibenzofuran-4-yl-6-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine
SMILESC1=CC(C2=CC(c3cccc4c5c(oc34)C(c3cc(-c4ccccc4)cc(C4N=C(c6ccc7ccccc7c6)NC(c6cccc7c6oc6ccccc67)=N4)c3)CC=C5)CC=C2)=CCC1
InChIInChI=1S/C61H45N3O2/c1-3-15-38(16-4-1)42-21-11-22-43(33-42)48-24-12-27-52-53-28-13-25-49(57(53)66-56(48)52)46-35-45(39-17-5-2-6-18-39)36-47(37-46)60-62-59(44-32-31-40-19-7-8-20-41(40)34-44)63-61(64-60)54-29-14-26-51-50-23-9-10-30-55(50)65-58(51)54/h2-3,5-21,23-24,26-37,43,49,60H,1,4,22,25H2,(H,62,63,64)
InChIKeyHFJJNFNJZGHEGD-UHFFFAOYSA-N
XLogP15.44
TPSA63.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.05
LogP ≤ 515.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-[6-(3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-3,4-dihydrodibenzofuran-4-yl]-5-phenylphenyl]-2-dibenzofuran-4-yl-6-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine with MolForge

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Related Compounds

4-dibenzofuran-4-yl-2-(8-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170293724
2,4-dinaphthalen-2-yl-6-[6-(4-phenyl-9H-fluoren-9-yl)dibenzofuran-3-yl]-1,4-dihydro-1,3,5-triazine
CID 146335798
4-dibenzofuran-2-yl-2-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170293740
2-naphthalen-2-yl-6-(4-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170266454
2-dibenzofuran-4-yl-4-(8-phenanthren-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167029735
4-(6-dibenzofuran-4-yldibenzofuran-1-yl)-2-phenanthren-3-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167419816
4-(3-cyclohexa-1,3-dien-1-ylphenyl)-2-(4-dibenzofuran-1-yl-5-methyl-5,6-dihydronaphthalen-1-yl)-6-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine
CID 167008027
5-[2-dibenzofuran-4-yl-4-[2-(3-phenylphenyl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole
CID 155475017
(4S)-4-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 142343037
2-dibenzofuran-4-yl-6-(4-naphthalen-1-ylphenyl)-4-(3-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine
CID 170423789
2-dibenzofuran-4-yl-6-phenyl-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030484
4-dibenzofuran-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170249185

Frequently Asked Questions

What is the IUPAC name of 4-[3-[6-(3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-3,4-dihydrodibenzofuran-4-yl]-5-phenylphenyl]-2-dibenzofuran-4-yl-6-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 4-[3-[6-(3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-3,4-dihydrodibenzofuran-4-yl]-5-phenylphenyl]-2-dibenzofuran-4-yl-6-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine (CID 146431226) is 4-[3-[6-(3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-3,4-dihydrodibenzofuran-4-yl]-5-phenylphenyl]-2-dibenzofuran-4-yl-6-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-[3-[6-(3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-3,4-dihydrodibenzofuran-4-yl]-5-phenylphenyl]-2-dibenzofuran-4-yl-6-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 4-[3-[6-(3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-3,4-dihydrodibenzofuran-4-yl]-5-phenylphenyl]-2-dibenzofuran-4-yl-6-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine is C1=CC(C2=CC(c3cccc4c5c(oc34)C(c3cc(-c4ccccc4)cc(C4N=C(c6ccc7ccccc7c6)NC(c6cccc7c6oc6ccccc67)=N4)c3)CC=C5)CC=C2)=CCC1.
What is the InChIKey of 4-[3-[6-(3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-3,4-dihydrodibenzofuran-4-yl]-5-phenylphenyl]-2-dibenzofuran-4-yl-6-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine?
The InChIKey is HFJJNFNJZGHEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H45N3O2/c1-3-15-38(16-4-1)42-21-11-22-43(33-42)48-24-12-27-52-53-28-13-25-49(57(53)66-56(48)52)46-35-45(39-17-5-2-6-18-39)36-47(37-46)60-62-59(44-32-31-40-19-7-8-20-41(40)34-44)63-61(64-60)54-29-14-26-51-50-23-9-10-30-55(50)65-58(51)54/h2-3,5-21,23-24,26-37,43,49,60H,1,4,22,25H2,(H,62,63,64).
What are the key properties of 4-[3-[6-(3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-3,4-dihydrodibenzofuran-4-yl]-5-phenylphenyl]-2-dibenzofuran-4-yl-6-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine?
4-[3-[6-(3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-3,4-dihydrodibenzofuran-4-yl]-5-phenylphenyl]-2-dibenzofuran-4-yl-6-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine has a molecular weight of 852.05 g/mol, XLogP of 15.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[6-(3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-3,4-dihydrodibenzofuran-4-yl]-5-phenylphenyl]-2-dibenzofuran-4-yl-6-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 146431226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).