2-dibenzofuran-1-yl-4-[4-(8-methyl-7,8-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine

C44H29N3O2 — CID 170423744

IUPAC2-dibenzofuran-1-yl-4-[4-(8-methyl-7,8-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
SMILESCC1CC=Cc2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc6oc7ccccc7c56)n4)c4c3oc3ccccc34)cc21
InChIInChI=1S/C44H29N3O2/c1-26-11-9-14-27-21-22-29(25-35(26)27)30-23-24-34(40-32-16-6-8-19-37(32)49-41(30)40)44-46-42(28-12-3-2-4-13-28)45-43(47-44)33-17-10-20-38-39(33)31-15-5-7-18-36(31)48-38/h2-10,12-26H,11H2,1H3
InChIKeyXYVBYJHDGTWGMY-UHFFFAOYSA-N
MW631.74 g/mol
LogP11.86
Rot. Bonds4

About 2-dibenzofuran-1-yl-4-[4-(8-methyl-7,8-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine

2-dibenzofuran-1-yl-4-[4-(8-methyl-7,8-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine (PubChem CID 170423744) has the molecular formula C44H29N3O2 and a molecular weight of 631.74 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-[4-(8-methyl-7,8-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-[4-(8-methyl-7,8-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
PubChem CID170423744
Molecular FormulaC44H29N3O2
Molecular Weight631.74 g/mol
Exact Mass631.23
IUPAC Name2-dibenzofuran-1-yl-4-[4-(8-methyl-7,8-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
SMILESCC1CC=Cc2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc6oc7ccccc7c56)n4)c4c3oc3ccccc34)cc21
InChIInChI=1S/C44H29N3O2/c1-26-11-9-14-27-21-22-29(25-35(26)27)30-23-24-34(40-32-16-6-8-19-37(32)49-41(30)40)44-46-42(28-12-3-2-4-13-28)45-43(47-44)33-17-10-20-38-39(33)31-15-5-7-18-36(31)48-38/h2-10,12-26H,11H2,1H3
InChIKeyXYVBYJHDGTWGMY-UHFFFAOYSA-N
XLogP11.86
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.74
LogP ≤ 511.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-4-(4-phenyldibenzofuran-1-yl)-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 155477197
2-(4-dibenzofuran-1-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742525
2-dibenzofuran-4-yl-4-(4-dibenzofuran-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 155077731
2-(4-naphthalen-2-yldibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 166743608
2,4-dinaphthalen-2-yl-6-(4-phenyldibenzofuran-1-yl)-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[4-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[4-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 163773356
2-(4b,8a-dihydrophenanthren-3-yl)-4-(7-dibenzofuran-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 170127920
2,4-diphenyl-6-[3-(4-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 130289437
2-(3-dibenzofuran-1-ylphenyl)-4-[4-(1,2-dihydronaphthalen-1-yl)phenyl]-6-naphthalen-2-yl-1,3,5-triazine
CID 170222893
2,4-diphenyl-6-[4-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142491264
2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102
2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazine
CID 170127951
2-naphthalen-2-yl-4-(4-naphthalen-2-yldibenzofuran-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 166742221

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-[4-(8-methyl-7,8-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-[4-(8-methyl-7,8-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine (CID 170423744) is 2-dibenzofuran-1-yl-4-[4-(8-methyl-7,8-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-[4-(8-methyl-7,8-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-[4-(8-methyl-7,8-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine is CC1CC=Cc2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc6oc7ccccc7c56)n4)c4c3oc3ccccc34)cc21.
What is the InChIKey of 2-dibenzofuran-1-yl-4-[4-(8-methyl-7,8-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine?
The InChIKey is XYVBYJHDGTWGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3O2/c1-26-11-9-14-27-21-22-29(25-35(26)27)30-23-24-34(40-32-16-6-8-19-37(32)49-41(30)40)44-46-42(28-12-3-2-4-13-28)45-43(47-44)33-17-10-20-38-39(33)31-15-5-7-18-36(31)48-38/h2-10,12-26H,11H2,1H3.
What are the key properties of 2-dibenzofuran-1-yl-4-[4-(8-methyl-7,8-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine?
2-dibenzofuran-1-yl-4-[4-(8-methyl-7,8-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine has a molecular weight of 631.74 g/mol, XLogP of 11.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-[4-(8-methyl-7,8-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 170423744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).