2-cyclohexa-1,5-dien-1-yl-4-(7-dibenzofuran-1-ylnaphthalen-2-yl)-6-(4-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine

C47H33N3O — CID 167008419

IUPAC2-cyclohexa-1,5-dien-1-yl-4-(7-dibenzofuran-1-ylnaphthalen-2-yl)-6-(4-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine
SMILESC1=CC(c2nc(C3=CC=C(c4ccc5ccccc5c4)CC3)nc(-c3ccc4ccc(-c5cccc6oc7ccccc7c56)cc4c3)n2)=CCC1
InChIInChI=1S/C47H33N3O/c1-2-10-33(11-3-1)45-48-46(34-22-17-31(18-23-34)36-24-19-30-9-4-5-12-35(30)27-36)50-47(49-45)38-26-21-32-20-25-37(28-39(32)29-38)40-14-8-16-43-44(40)41-13-6-7-15-42(41)51-43/h2,4-17,19-22,24-29H,1,3,18,23H2
InChIKeyHCEORPNMXUCNTK-UHFFFAOYSA-N
MW655.80 g/mol
LogP12.41
Rot. Bonds5

About 2-cyclohexa-1,5-dien-1-yl-4-(7-dibenzofuran-1-ylnaphthalen-2-yl)-6-(4-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine

2-cyclohexa-1,5-dien-1-yl-4-(7-dibenzofuran-1-ylnaphthalen-2-yl)-6-(4-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine (PubChem CID 167008419) has the molecular formula C47H33N3O and a molecular weight of 655.80 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-4-(7-dibenzofuran-1-ylnaphthalen-2-yl)-6-(4-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-4-(7-dibenzofuran-1-ylnaphthalen-2-yl)-6-(4-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine
PubChem CID167008419
Molecular FormulaC47H33N3O
Molecular Weight655.80 g/mol
Exact Mass655.26
IUPAC Name2-cyclohexa-1,5-dien-1-yl-4-(7-dibenzofuran-1-ylnaphthalen-2-yl)-6-(4-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine
SMILESC1=CC(c2nc(C3=CC=C(c4ccc5ccccc5c4)CC3)nc(-c3ccc4ccc(-c5cccc6oc7ccccc7c56)cc4c3)n2)=CCC1
InChIInChI=1S/C47H33N3O/c1-2-10-33(11-3-1)45-48-46(34-22-17-31(18-23-34)36-24-19-30-9-4-5-12-35(30)27-36)50-47(49-45)38-26-21-32-20-25-37(28-39(32)29-38)40-14-8-16-43-44(40)41-13-6-7-15-42(41)51-43/h2,4-17,19-22,24-29H,1,3,18,23H2
InChIKeyHCEORPNMXUCNTK-UHFFFAOYSA-N
XLogP12.41
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.80
LogP ≤ 512.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-cyclohexa-1,5-dien-1-yl-4-(7-dibenzofuran-1-ylnaphthalen-2-yl)-6-(4-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine with MolForge

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Launch Full Analysis

Related Compounds

2-cyclohexa-1,5-dien-1-yl-4-naphthalen-2-yl-6-[6-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 170144747
2-dibenzofuran-1-yl-4-(7-dibenzofuran-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 167008364
2-cyclohexa-1,5-dien-1-yl-4-naphthalen-2-yl-6-(6-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-1-yl)-1,3,5-triazine
CID 167181703
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-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-[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-(7-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 146918323
2-cyclohexa-1,5-dien-1-yl-4-naphtho[2,3-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazine
CID 168740292
2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 167183007
4-[8-(4-cyclohexa-1,5-dien-1-ylnaphthalen-1-yl)dibenzofuran-1-yl]-2,6-diphenylpyridine;2,6-diphenyl-4-[8-(6-phenylnaphthalen-2-yl)dibenzofuran-1-yl]pyridine;4-[8-(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-1-yl]-2,6-diphenylpyridine;4-[8-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-2,6-diphenylpyridine
CID 162125811
2-(3-dibenzofuran-1-ylphenyl)-4-(6-naphthalen-2-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 170016833
2-(6-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 164737139

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-(7-dibenzofuran-1-ylnaphthalen-2-yl)-6-(4-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-(7-dibenzofuran-1-ylnaphthalen-2-yl)-6-(4-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine (CID 167008419) is 2-cyclohexa-1,5-dien-1-yl-4-(7-dibenzofuran-1-ylnaphthalen-2-yl)-6-(4-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-4-(7-dibenzofuran-1-ylnaphthalen-2-yl)-6-(4-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-4-(7-dibenzofuran-1-ylnaphthalen-2-yl)-6-(4-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine is C1=CC(c2nc(C3=CC=C(c4ccc5ccccc5c4)CC3)nc(-c3ccc4ccc(-c5cccc6oc7ccccc7c56)cc4c3)n2)=CCC1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-4-(7-dibenzofuran-1-ylnaphthalen-2-yl)-6-(4-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine?
The InChIKey is HCEORPNMXUCNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N3O/c1-2-10-33(11-3-1)45-48-46(34-22-17-31(18-23-34)36-24-19-30-9-4-5-12-35(30)27-36)50-47(49-45)38-26-21-32-20-25-37(28-39(32)29-38)40-14-8-16-43-44(40)41-13-6-7-15-42(41)51-43/h2,4-17,19-22,24-29H,1,3,18,23H2.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-4-(7-dibenzofuran-1-ylnaphthalen-2-yl)-6-(4-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine?
2-cyclohexa-1,5-dien-1-yl-4-(7-dibenzofuran-1-ylnaphthalen-2-yl)-6-(4-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine has a molecular weight of 655.80 g/mol, XLogP of 12.41, 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-(7-dibenzofuran-1-ylnaphthalen-2-yl)-6-(4-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine is sourced from PubChem (CID 167008419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).