2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine

C43H29N3O — CID 167183007

IUPAC2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
SMILESC1=CC(c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3ccc(-c4cccc5oc6ccccc6c45)c4ccccc34)n2)=CCC1
InChIInChI=1S/C43H29N3O/c1-3-13-28(14-4-1)30-17-11-18-31(27-30)42-44-41(29-15-5-2-6-16-29)45-43(46-42)36-26-25-34(32-19-7-8-20-33(32)36)35-22-12-24-39-40(35)37-21-9-10-23-38(37)47-39/h1,3-5,7-27H,2,6H2
InChIKeyKIQJYRMXGOUHDN-UHFFFAOYSA-N
MW603.73 g/mol
LogP11.33
Rot. Bonds5

About 2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine

2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 167183007) has the molecular formula C43H29N3O and a molecular weight of 603.73 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID167183007
Molecular FormulaC43H29N3O
Molecular Weight603.73 g/mol
Exact Mass603.23
IUPAC Name2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
SMILESC1=CC(c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3ccc(-c4cccc5oc6ccccc6c45)c4ccccc34)n2)=CCC1
InChIInChI=1S/C43H29N3O/c1-3-13-28(14-4-1)30-17-11-18-31(27-30)42-44-41(29-15-5-2-6-16-29)45-43(46-42)36-26-25-34(32-19-7-8-20-33(32)36)35-22-12-24-39-40(35)37-21-9-10-23-38(37)47-39/h1,3-5,7-27H,2,6H2
InChIKeyKIQJYRMXGOUHDN-UHFFFAOYSA-N
XLogP11.33
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.73
LogP ≤ 511.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexa-1,5-dien-1-yl-4-phenyl-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 134199069
2-cyclohexa-1,5-dien-1-yl-4-[4-(7-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 167184344
2-cyclohexa-1,5-dien-1-yl-4-naphthalen-2-yl-6-[4-(4-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 170145591
2-cyclohexa-1,5-dien-1-yl-4-dibenzofuran-4-yl-6-[4-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine
CID 145448035
2-cyclohexa-1,5-dien-1-yl-4-(8-methyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 134198548
2-cyclohexa-1,5-dien-1-yl-4-[3-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 164569004
2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171607729
2-(8-chlorodibenzofuran-1-yl)-4-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 138618029
2-(3-cyclohexa-1,5-dien-1-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 144909896
9-[4-(4-cyclohexa-1,5-dien-1-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenyldibenzofuran-3-amine
CID 170021344
2-dibenzofuran-1-yl-4-(6-phenylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 162504507
2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-1-ylnaphthalen-2-yl)-6-dibenzothiophen-4-yl-1,3,5-triazine
CID 167182673

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine (CID 167183007) is 2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine is C1=CC(c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3ccc(-c4cccc5oc6ccccc6c45)c4ccccc34)n2)=CCC1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is KIQJYRMXGOUHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N3O/c1-3-13-28(14-4-1)30-17-11-18-31(27-30)42-44-41(29-15-5-2-6-16-29)45-43(46-42)36-26-25-34(32-19-7-8-20-33(32)36)35-22-12-24-39-40(35)37-21-9-10-23-38(37)47-39/h1,3-5,7-27H,2,6H2.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine?
2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 603.73 g/mol, XLogP of 11.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 167183007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).