2-(4a,8a-dihydronaphthalen-2-yl)-4-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine

C59H37N3O2 — CID 167007484

IUPAC2-(4a,8a-dihydronaphthalen-2-yl)-4-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILESC1=CC2C=CC(c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5cccc6oc7cc(-c8cccc9oc%10ccccc%10c89)ccc7c56)c5ccccc45)n3)=CC2C=C1
InChIInChI=1S/C59H37N3O2/c1-2-12-36(13-3-1)38-24-27-39(28-25-38)57-60-58(42-29-26-37-14-4-5-15-40(37)34-42)62-59(61-57)48-33-32-46(44-16-6-7-17-45(44)48)47-20-11-23-53-56(47)50-31-30-41(35-54(50)64-53)43-19-10-22-52-55(43)49-18-8-9-21-51(49)63-52/h1-35,37,40H
InChIKeyHFGOUKSYJDFZCU-UHFFFAOYSA-N
MW819.96 g/mol
LogP15.47
Rot. Bonds6

About 2-(4a,8a-dihydronaphthalen-2-yl)-4-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine

2-(4a,8a-dihydronaphthalen-2-yl)-4-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 167007484) has the molecular formula C59H37N3O2 and a molecular weight of 819.96 g/mol. Its IUPAC name is 2-(4a,8a-dihydronaphthalen-2-yl)-4-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(4a,8a-dihydronaphthalen-2-yl)-4-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID167007484
Molecular FormulaC59H37N3O2
Molecular Weight819.96 g/mol
Exact Mass819.29
IUPAC Name2-(4a,8a-dihydronaphthalen-2-yl)-4-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILESC1=CC2C=CC(c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5cccc6oc7cc(-c8cccc9oc%10ccccc%10c89)ccc7c56)c5ccccc45)n3)=CC2C=C1
InChIInChI=1S/C59H37N3O2/c1-2-12-36(13-3-1)38-24-27-39(28-25-38)57-60-58(42-29-26-37-14-4-5-15-40(37)34-42)62-59(61-57)48-33-32-46(44-16-6-7-17-45(44)48)47-20-11-23-53-56(47)50-31-30-41(35-54(50)64-53)43-19-10-22-52-55(43)49-18-8-9-21-51(49)63-52/h1-35,37,40H
InChIKeyHFGOUKSYJDFZCU-UHFFFAOYSA-N
XLogP15.47
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.96
LogP ≤ 515.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4a,10a-dihydrophenanthren-2-yl)-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 167182995
2-(4a,8a-dihydronaphthalen-2-yl)-4-cyclohexa-2,4-dien-1-yl-6-(7-naphtho[2,1-b][1]benzofuran-5-yldibenzofuran-1-yl)-1,3,5-triazine
CID 167007710
2-(7-dibenzofuran-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741824
2-dibenzofuran-2-yl-4-(7-dibenzofuran-1-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742830
2-dibenzofuran-3-yl-4-(4-dibenzofuran-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139304372
2-[9-(2-dibenzofuran-1-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 176773441
2-dibenzofuran-1-yl-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-dibenzofuran-3-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 158453153
2-naphthalen-1-yl-4-(4-naphthalen-1-ylphenyl)-6-[4-(9-phenyldibenzofuran-3-yl)naphthalen-1-yl]-1,3,5-triazine
CID 170213995
2-[9-(2-dibenzofuran-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170192124
2-(4-dibenzofuran-3-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-3-ylnaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 163440403
2-methyl-4-phenyl-6-[5-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]naphthalen-1-yl]-1,3,5-triazine
CID 170223853
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 166742927

Frequently Asked Questions

What is the IUPAC name of 2-(4a,8a-dihydronaphthalen-2-yl)-4-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(4a,8a-dihydronaphthalen-2-yl)-4-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine (CID 167007484) is 2-(4a,8a-dihydronaphthalen-2-yl)-4-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(4a,8a-dihydronaphthalen-2-yl)-4-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(4a,8a-dihydronaphthalen-2-yl)-4-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine is C1=CC2C=CC(c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5cccc6oc7cc(-c8cccc9oc%10ccccc%10c89)ccc7c56)c5ccccc45)n3)=CC2C=C1.
What is the InChIKey of 2-(4a,8a-dihydronaphthalen-2-yl)-4-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is HFGOUKSYJDFZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N3O2/c1-2-12-36(13-3-1)38-24-27-39(28-25-38)57-60-58(42-29-26-37-14-4-5-15-40(37)34-42)62-59(61-57)48-33-32-46(44-16-6-7-17-45(44)48)47-20-11-23-53-56(47)50-31-30-41(35-54(50)64-53)43-19-10-22-52-55(43)49-18-8-9-21-51(49)63-52/h1-35,37,40H.
What are the key properties of 2-(4a,8a-dihydronaphthalen-2-yl)-4-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
2-(4a,8a-dihydronaphthalen-2-yl)-4-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 819.96 g/mol, XLogP of 15.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4a,8a-dihydronaphthalen-2-yl)-4-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 167007484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).