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

C49H35N3O — CID 170424184

IUPAC2-cyclohexa-2,4-dien-1-yl-4-[5-(6-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,5-dien-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILESC1=CCC(c2nc(C3=CCCC(c4cccc5oc6c(-c7ccc8ccccc8c7)cccc6c45)=C3)nc(-c3ccc(-c4ccccc4)cc3)n2)C=C1
InChIInChI=1S/C49H35N3O/c1-3-12-32(13-4-1)34-24-27-36(28-25-34)48-50-47(35-15-5-2-6-16-35)51-49(52-48)40-19-9-18-38(31-40)41-20-11-23-44-45(41)43-22-10-21-42(46(43)53-44)39-29-26-33-14-7-8-17-37(33)30-39/h1-8,10-15,17,19-31,35H,9,16,18H2
InChIKeyZMEJORACEQWYFR-UHFFFAOYSA-N
MW681.84 g/mol
LogP12.79
Rot. Bonds6

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

2-cyclohexa-2,4-dien-1-yl-4-[5-(6-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,5-dien-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 170424184) has the molecular formula C49H35N3O and a molecular weight of 681.84 g/mol. Its IUPAC name is 2-cyclohexa-2,4-dien-1-yl-4-[5-(6-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,5-dien-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-cyclohexa-2,4-dien-1-yl-4-[5-(6-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,5-dien-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID170424184
Molecular FormulaC49H35N3O
Molecular Weight681.84 g/mol
Exact Mass681.28
IUPAC Name2-cyclohexa-2,4-dien-1-yl-4-[5-(6-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,5-dien-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILESC1=CCC(c2nc(C3=CCCC(c4cccc5oc6c(-c7ccc8ccccc8c7)cccc6c45)=C3)nc(-c3ccc(-c4ccccc4)cc3)n2)C=C1
InChIInChI=1S/C49H35N3O/c1-3-12-32(13-4-1)34-24-27-36(28-25-34)48-50-47(35-15-5-2-6-16-35)51-49(52-48)40-19-9-18-38(31-40)41-20-11-23-44-45(41)43-22-10-21-42(46(43)53-44)39-29-26-33-14-7-8-17-37(33)30-39/h1-8,10-15,17,19-31,35H,9,16,18H2
InChIKeyZMEJORACEQWYFR-UHFFFAOYSA-N
XLogP12.79
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.84
LogP ≤ 512.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-cyclohexa-2,4-dien-1-yl-4-phenyl-6-[5-[6-(8-phenyldibenzothiophen-3-yl)dibenzofuran-1-yl]cyclohexa-1,5-dien-1-yl]-1,3,5-triazine
CID 166744488
2-cyclohexa-2,4-dien-1-yl-4-[4-[3-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-7-yl)cyclohexa-1,3-dien-1-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 167113591
2-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine
CID 142515649
2-cyclohexa-2,4-dien-1-yl-4-(6-dibenzofuran-4-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 167183078
2-chrysen-2-yl-4-cyclohexa-2,4-dien-1-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine
CID 167143962
9-[4-[9-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenyl-9H-carbazol-9-ium
CID 163811390
2-cyclohexa-2,4-dien-1-yl-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 167008294
2-cyclohexa-2,4-dien-1-yl-4-(6-phenanthren-9-yldibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 142343130
2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-[3-(9-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 170214029
2-(4-naphthalen-2-ylphenyl)-4-[6-(4-phenylphenyl)dibenzofuran-1-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808228
2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-[4-(9-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 170214025
2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166743569

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-2,4-dien-1-yl-4-[5-(6-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,5-dien-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-cyclohexa-2,4-dien-1-yl-4-[5-(6-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,5-dien-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine (CID 170424184) is 2-cyclohexa-2,4-dien-1-yl-4-[5-(6-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,5-dien-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-cyclohexa-2,4-dien-1-yl-4-[5-(6-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,5-dien-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-cyclohexa-2,4-dien-1-yl-4-[5-(6-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,5-dien-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine is C1=CCC(c2nc(C3=CCCC(c4cccc5oc6c(-c7ccc8ccccc8c7)cccc6c45)=C3)nc(-c3ccc(-c4ccccc4)cc3)n2)C=C1.
What is the InChIKey of 2-cyclohexa-2,4-dien-1-yl-4-[5-(6-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,5-dien-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is ZMEJORACEQWYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35N3O/c1-3-12-32(13-4-1)34-24-27-36(28-25-34)48-50-47(35-15-5-2-6-16-35)51-49(52-48)40-19-9-18-38(31-40)41-20-11-23-44-45(41)43-22-10-21-42(46(43)53-44)39-29-26-33-14-7-8-17-37(33)30-39/h1-8,10-15,17,19-31,35H,9,16,18H2.
What are the key properties of 2-cyclohexa-2,4-dien-1-yl-4-[5-(6-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,5-dien-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
2-cyclohexa-2,4-dien-1-yl-4-[5-(6-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,5-dien-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 681.84 g/mol, XLogP of 12.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-2,4-dien-1-yl-4-[5-(6-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,5-dien-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 170424184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).