2-cyclohexa-1,3,4,5-tetraen-1-yl-4-(6,8-dinaphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine

C47H27N3O — CID 142343050

IUPAC2-cyclohexa-1,3,4,5-tetraen-1-yl-4-(6,8-dinaphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
SMILESC1=C=CC(c2nc(-c3ccccc3)nc(-c3cccc4oc5c(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)cc5c34)n2)=CC=1
InChIInChI=1S/C47H27N3O/c1-3-16-32(17-4-1)45-48-46(33-18-5-2-6-19-33)50-47(49-45)39-26-13-27-42-43(39)41-29-34(37-24-11-20-30-14-7-9-22-35(30)37)28-40(44(41)51-42)38-25-12-21-31-15-8-10-23-36(31)38/h1,3-5,7-29H
InChIKeyNVIRLJRQQWLVAL-UHFFFAOYSA-N
MW649.75 g/mol
LogP12.01
Rot. Bonds5

About 2-cyclohexa-1,3,4,5-tetraen-1-yl-4-(6,8-dinaphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine

2-cyclohexa-1,3,4,5-tetraen-1-yl-4-(6,8-dinaphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine (PubChem CID 142343050) has the molecular formula C47H27N3O and a molecular weight of 649.75 g/mol. Its IUPAC name is 2-cyclohexa-1,3,4,5-tetraen-1-yl-4-(6,8-dinaphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-cyclohexa-1,3,4,5-tetraen-1-yl-4-(6,8-dinaphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
PubChem CID142343050
Molecular FormulaC47H27N3O
Molecular Weight649.75 g/mol
Exact Mass649.22
IUPAC Name2-cyclohexa-1,3,4,5-tetraen-1-yl-4-(6,8-dinaphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
SMILESC1=C=CC(c2nc(-c3ccccc3)nc(-c3cccc4oc5c(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)cc5c34)n2)=CC=1
InChIInChI=1S/C47H27N3O/c1-3-16-32(17-4-1)45-48-46(33-18-5-2-6-19-33)50-47(49-45)39-26-13-27-42-43(39)41-29-34(37-24-11-20-30-14-7-9-22-35(30)37)28-40(44(41)51-42)38-25-12-21-31-15-8-10-23-36(31)38/h1,3-5,7-29H
InChIKeyNVIRLJRQQWLVAL-UHFFFAOYSA-N
XLogP12.01
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.75
LogP ≤ 512.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexa-1,3,4,5-tetraen-1-yl-4-phenyl-6-[6-(7-phenyldibenzofuran-4-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 169011350
2-(5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 176818468
2-(6,8-dichlorodibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(6,8-dinaphthalen-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;methane;naphthalen-1-ylboronic acid
CID 161475287
2-[6-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808398
2-[6-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-4-(5-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164808588
2-[6,8-di(phenanthren-3-yl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 137496724
2-[6-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-4-(7-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164808539
2-(6,8-diphenyldibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 147117573
2-[6,8-bis(3-phenylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 137496708
2-[10-(3-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine
CID 167424108
2-(4-naphthalen-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166742174
2-dibenzofuran-1-yl-4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyldibenzofuran-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 166565423

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,3,4,5-tetraen-1-yl-4-(6,8-dinaphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-cyclohexa-1,3,4,5-tetraen-1-yl-4-(6,8-dinaphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine (CID 142343050) is 2-cyclohexa-1,3,4,5-tetraen-1-yl-4-(6,8-dinaphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-cyclohexa-1,3,4,5-tetraen-1-yl-4-(6,8-dinaphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-cyclohexa-1,3,4,5-tetraen-1-yl-4-(6,8-dinaphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine is C1=C=CC(c2nc(-c3ccccc3)nc(-c3cccc4oc5c(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)cc5c34)n2)=CC=1.
What is the InChIKey of 2-cyclohexa-1,3,4,5-tetraen-1-yl-4-(6,8-dinaphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is NVIRLJRQQWLVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H27N3O/c1-3-16-32(17-4-1)45-48-46(33-18-5-2-6-19-33)50-47(49-45)39-26-13-27-42-43(39)41-29-34(37-24-11-20-30-14-7-9-22-35(30)37)28-40(44(41)51-42)38-25-12-21-31-15-8-10-23-36(31)38/h1,3-5,7-29H.
What are the key properties of 2-cyclohexa-1,3,4,5-tetraen-1-yl-4-(6,8-dinaphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
2-cyclohexa-1,3,4,5-tetraen-1-yl-4-(6,8-dinaphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 649.75 g/mol, XLogP of 12.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,3,4,5-tetraen-1-yl-4-(6,8-dinaphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 142343050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).