2-cyclohexa-1,3-dien-1-yl-4-[5-methyl-4-(7-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,3-dien-1-yl]-6-phenyl-1,3,5-triazine

C44H33N3O — CID 167007661

IUPAC2-cyclohexa-1,3-dien-1-yl-4-[5-methyl-4-(7-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,3-dien-1-yl]-6-phenyl-1,3,5-triazine
SMILESCC1CC(c2nc(C3=CC=CCC3)nc(-c3ccccc3)n2)=CC=C1c1cccc2oc3cc(-c4ccc5ccccc5c4)ccc3c12
InChIInChI=1S/C44H33N3O/c1-28-25-35(44-46-42(30-12-4-2-5-13-30)45-43(47-44)31-14-6-3-7-15-31)22-23-36(28)37-17-10-18-39-41(37)38-24-21-34(27-40(38)48-39)33-20-19-29-11-8-9-16-32(29)26-33/h2-6,8-14,16-24,26-28H,7,15,25H2,1H3
InChIKeyQHWQXDBJTIBROW-UHFFFAOYSA-N
MW619.77 g/mol
LogP11.50
Rot. Bonds5

About 2-cyclohexa-1,3-dien-1-yl-4-[5-methyl-4-(7-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,3-dien-1-yl]-6-phenyl-1,3,5-triazine

2-cyclohexa-1,3-dien-1-yl-4-[5-methyl-4-(7-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,3-dien-1-yl]-6-phenyl-1,3,5-triazine (PubChem CID 167007661) has the molecular formula C44H33N3O and a molecular weight of 619.77 g/mol. Its IUPAC name is 2-cyclohexa-1,3-dien-1-yl-4-[5-methyl-4-(7-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,3-dien-1-yl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-cyclohexa-1,3-dien-1-yl-4-[5-methyl-4-(7-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,3-dien-1-yl]-6-phenyl-1,3,5-triazine
PubChem CID167007661
Molecular FormulaC44H33N3O
Molecular Weight619.77 g/mol
Exact Mass619.26
IUPAC Name2-cyclohexa-1,3-dien-1-yl-4-[5-methyl-4-(7-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,3-dien-1-yl]-6-phenyl-1,3,5-triazine
SMILESCC1CC(c2nc(C3=CC=CCC3)nc(-c3ccccc3)n2)=CC=C1c1cccc2oc3cc(-c4ccc5ccccc5c4)ccc3c12
InChIInChI=1S/C44H33N3O/c1-28-25-35(44-46-42(30-12-4-2-5-13-30)45-43(47-44)31-14-6-3-7-15-31)22-23-36(28)37-17-10-18-39-41(37)38-24-21-34(27-40(38)48-39)33-20-19-29-11-8-9-16-32(29)26-33/h2-6,8-14,16-24,26-28H,7,15,25H2,1H3
InChIKeyQHWQXDBJTIBROW-UHFFFAOYSA-N
XLogP11.50
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.77
LogP ≤ 511.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-cyclohexa-1,3-dien-1-yl-4-[5-methyl-4-(7-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,3-dien-1-yl]-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

2-(7-dibenzofuran-2-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine
CID 170220392
2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 166743599
2-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-4-naphthalen-2-yl-6-(3-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 170301983
N-[4-[7-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 170094690
2-[7-[8-(4-cyclohexa-1,3-dien-1-ylphenyl)dibenzofuran-1-yl]naphthalen-2-yl]-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 167007621
2-[6-(7-naphthalen-2-yldibenzofuran-1-yl)naphthalen-2-yl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 166742881
2-cyclohexa-1,3-dien-1-yl-4-(4-dibenzofuran-1-ylnaphthalen-2-yl)-6-phenanthren-2-yl-1,3,5-triazine
CID 167182994
2-naphthalen-2-yl-4-(7-phenanthren-3-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741117
2-[9-(4-cyclohexa-1,3-dien-1-ylphenyl)dibenzofuran-1-yl]-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 167007246
2-naphthalen-2-yl-4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 177273064
2-(3-naphthalen-2-ylphenyl)-4-phenyl-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 164798209
2-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797715

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,3-dien-1-yl-4-[5-methyl-4-(7-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,3-dien-1-yl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-cyclohexa-1,3-dien-1-yl-4-[5-methyl-4-(7-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,3-dien-1-yl]-6-phenyl-1,3,5-triazine (CID 167007661) is 2-cyclohexa-1,3-dien-1-yl-4-[5-methyl-4-(7-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,3-dien-1-yl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-cyclohexa-1,3-dien-1-yl-4-[5-methyl-4-(7-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,3-dien-1-yl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-cyclohexa-1,3-dien-1-yl-4-[5-methyl-4-(7-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,3-dien-1-yl]-6-phenyl-1,3,5-triazine is CC1CC(c2nc(C3=CC=CCC3)nc(-c3ccccc3)n2)=CC=C1c1cccc2oc3cc(-c4ccc5ccccc5c4)ccc3c12.
What is the InChIKey of 2-cyclohexa-1,3-dien-1-yl-4-[5-methyl-4-(7-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,3-dien-1-yl]-6-phenyl-1,3,5-triazine?
The InChIKey is QHWQXDBJTIBROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H33N3O/c1-28-25-35(44-46-42(30-12-4-2-5-13-30)45-43(47-44)31-14-6-3-7-15-31)22-23-36(28)37-17-10-18-39-41(37)38-24-21-34(27-40(38)48-39)33-20-19-29-11-8-9-16-32(29)26-33/h2-6,8-14,16-24,26-28H,7,15,25H2,1H3.
What are the key properties of 2-cyclohexa-1,3-dien-1-yl-4-[5-methyl-4-(7-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,3-dien-1-yl]-6-phenyl-1,3,5-triazine?
2-cyclohexa-1,3-dien-1-yl-4-[5-methyl-4-(7-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,3-dien-1-yl]-6-phenyl-1,3,5-triazine has a molecular weight of 619.77 g/mol, XLogP of 11.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,3-dien-1-yl-4-[5-methyl-4-(7-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,3-dien-1-yl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 167007661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).