2-(4-cyclohexa-1,3-dien-1-ylnaphthalen-1-yl)-4-phenyl-6-(8-phenyl-3,4-dihydrodibenzofuran-1-yl)-1,3,5-triazine

C43H31N3O — CID 170228629

IUPAC2-(4-cyclohexa-1,3-dien-1-ylnaphthalen-1-yl)-4-phenyl-6-(8-phenyl-3,4-dihydrodibenzofuran-1-yl)-1,3,5-triazine
SMILESC1=CCCC(c2ccc(-c3nc(C4=CCCc5oc6ccc(-c7ccccc7)cc6c54)nc(-c4ccccc4)n3)c3ccccc23)=C1
InChIInChI=1S/C43H31N3O/c1-4-13-28(14-5-1)31-23-26-38-37(27-31)40-36(21-12-22-39(40)47-38)43-45-41(30-17-8-3-9-18-30)44-42(46-43)35-25-24-32(29-15-6-2-7-16-29)33-19-10-11-20-34(33)35/h1-6,8-11,13-15,17-21,23-27H,7,12,16,22H2
InChIKeyVHTKVDQFGRYVSE-UHFFFAOYSA-N
MW605.74 g/mol
LogP10.88
Rot. Bonds5

About 2-(4-cyclohexa-1,3-dien-1-ylnaphthalen-1-yl)-4-phenyl-6-(8-phenyl-3,4-dihydrodibenzofuran-1-yl)-1,3,5-triazine

2-(4-cyclohexa-1,3-dien-1-ylnaphthalen-1-yl)-4-phenyl-6-(8-phenyl-3,4-dihydrodibenzofuran-1-yl)-1,3,5-triazine (PubChem CID 170228629) has the molecular formula C43H31N3O and a molecular weight of 605.74 g/mol. Its IUPAC name is 2-(4-cyclohexa-1,3-dien-1-ylnaphthalen-1-yl)-4-phenyl-6-(8-phenyl-3,4-dihydrodibenzofuran-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-cyclohexa-1,3-dien-1-ylnaphthalen-1-yl)-4-phenyl-6-(8-phenyl-3,4-dihydrodibenzofuran-1-yl)-1,3,5-triazine
PubChem CID170228629
Molecular FormulaC43H31N3O
Molecular Weight605.74 g/mol
Exact Mass605.25
IUPAC Name2-(4-cyclohexa-1,3-dien-1-ylnaphthalen-1-yl)-4-phenyl-6-(8-phenyl-3,4-dihydrodibenzofuran-1-yl)-1,3,5-triazine
SMILESC1=CCCC(c2ccc(-c3nc(C4=CCCc5oc6ccc(-c7ccccc7)cc6c54)nc(-c4ccccc4)n3)c3ccccc23)=C1
InChIInChI=1S/C43H31N3O/c1-4-13-28(14-5-1)31-23-26-38-37(27-31)40-36(21-12-22-39(40)47-38)43-45-41(30-17-8-3-9-18-30)44-42(46-43)35-25-24-32(29-15-6-2-7-16-29)33-19-10-11-20-34(33)35/h1-6,8-11,13-15,17-21,23-27H,7,12,16,22H2
InChIKeyVHTKVDQFGRYVSE-UHFFFAOYSA-N
XLogP10.88
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.74
LogP ≤ 510.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-4-(4-phenylphenyl)-6-[8-(4-phenylphenyl)-3,4-dihydrodibenzofuran-1-yl]-1,3,5-triazine
CID 170226014
2-(3,4-dihydrodibenzofuran-1-yl)-4-(4-phenylphenyl)-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 167007462
2-[2-(4-cyclohexa-1,3-dien-1-ylnaphthalen-1-yl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170126361
2-[8-(8-methyl-7,8-dihydronaphthalen-2-yl)-3,4-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 170229357
2-(3,4-dihydrodibenzofuran-1-yl)-4-[4-(8-naphthalen-2-yldibenzofuran-1-yl)-2,3-dihydronaphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 167007605
2-cyclohexa-1,3-dien-1-yl-4-phenyl-6-[8-(4-pyridin-2-ylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142353221
2-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-4-(4-dibenzofuran-2-ylphenyl)-6-pyridin-2-yl-1,3,5-triazine
CID 155203983
2-dibenzofuran-1-yl-4-(6-naphthalen-2-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 170221616
3-[4-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-N,N-bis(4-phenylphenyl)aniline
CID 170297555
2-[7-[4-(2-methoxy-5,6-dihydronaphthalen-1-yl)phenyl]-3,4-dihydrodibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170143078
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
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexa-1,3-dien-1-ylnaphthalen-1-yl)-4-phenyl-6-(8-phenyl-3,4-dihydrodibenzofuran-1-yl)-1,3,5-triazine?
The IUPAC name of 2-(4-cyclohexa-1,3-dien-1-ylnaphthalen-1-yl)-4-phenyl-6-(8-phenyl-3,4-dihydrodibenzofuran-1-yl)-1,3,5-triazine (CID 170228629) is 2-(4-cyclohexa-1,3-dien-1-ylnaphthalen-1-yl)-4-phenyl-6-(8-phenyl-3,4-dihydrodibenzofuran-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(4-cyclohexa-1,3-dien-1-ylnaphthalen-1-yl)-4-phenyl-6-(8-phenyl-3,4-dihydrodibenzofuran-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-(4-cyclohexa-1,3-dien-1-ylnaphthalen-1-yl)-4-phenyl-6-(8-phenyl-3,4-dihydrodibenzofuran-1-yl)-1,3,5-triazine is C1=CCCC(c2ccc(-c3nc(C4=CCCc5oc6ccc(-c7ccccc7)cc6c54)nc(-c4ccccc4)n3)c3ccccc23)=C1.
What is the InChIKey of 2-(4-cyclohexa-1,3-dien-1-ylnaphthalen-1-yl)-4-phenyl-6-(8-phenyl-3,4-dihydrodibenzofuran-1-yl)-1,3,5-triazine?
The InChIKey is VHTKVDQFGRYVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N3O/c1-4-13-28(14-5-1)31-23-26-38-37(27-31)40-36(21-12-22-39(40)47-38)43-45-41(30-17-8-3-9-18-30)44-42(46-43)35-25-24-32(29-15-6-2-7-16-29)33-19-10-11-20-34(33)35/h1-6,8-11,13-15,17-21,23-27H,7,12,16,22H2.
What are the key properties of 2-(4-cyclohexa-1,3-dien-1-ylnaphthalen-1-yl)-4-phenyl-6-(8-phenyl-3,4-dihydrodibenzofuran-1-yl)-1,3,5-triazine?
2-(4-cyclohexa-1,3-dien-1-ylnaphthalen-1-yl)-4-phenyl-6-(8-phenyl-3,4-dihydrodibenzofuran-1-yl)-1,3,5-triazine has a molecular weight of 605.74 g/mol, XLogP of 10.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexa-1,3-dien-1-ylnaphthalen-1-yl)-4-phenyl-6-(8-phenyl-3,4-dihydrodibenzofuran-1-yl)-1,3,5-triazine is sourced from PubChem (CID 170228629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).