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

C47H31N3O — CID 170145591

IUPAC2-cyclohexa-1,5-dien-1-yl-4-naphthalen-2-yl-6-[4-(4-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
SMILESC1=CC(c2nc(-c3ccc4ccccc4c3)nc(-c3ccc(-c4ccc(-c5ccccc5)c5oc6ccccc6c45)c4ccccc34)n2)=CCC1
InChIInChI=1S/C47H31N3O/c1-3-14-31(15-4-1)35-25-27-39(43-41-21-11-12-22-42(41)51-44(35)43)38-26-28-40(37-20-10-9-19-36(37)38)47-49-45(32-16-5-2-6-17-32)48-46(50-47)34-24-23-30-13-7-8-18-33(30)29-34/h1,3-5,7-29H,2,6H2
InChIKeyMATXTOZJYARGFH-UHFFFAOYSA-N
MW653.79 g/mol
LogP12.48
Rot. Bonds5

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

2-cyclohexa-1,5-dien-1-yl-4-naphthalen-2-yl-6-[4-(4-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine (PubChem CID 170145591) has the molecular formula C47H31N3O and a molecular weight of 653.79 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-4-naphthalen-2-yl-6-[4-(4-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-4-naphthalen-2-yl-6-[4-(4-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
PubChem CID170145591
Molecular FormulaC47H31N3O
Molecular Weight653.79 g/mol
Exact Mass653.25
IUPAC Name2-cyclohexa-1,5-dien-1-yl-4-naphthalen-2-yl-6-[4-(4-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
SMILESC1=CC(c2nc(-c3ccc4ccccc4c3)nc(-c3ccc(-c4ccc(-c5ccccc5)c5oc6ccccc6c45)c4ccccc34)n2)=CCC1
InChIInChI=1S/C47H31N3O/c1-3-14-31(15-4-1)35-25-27-39(43-41-21-11-12-22-42(41)51-44(35)43)38-26-28-40(37-20-10-9-19-36(37)38)47-49-45(32-16-5-2-6-17-32)48-46(50-47)34-24-23-30-13-7-8-18-33(30)29-34/h1,3-5,7-29H,2,6H2
InChIKeyMATXTOZJYARGFH-UHFFFAOYSA-N
XLogP12.48
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.79
LogP ≤ 512.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-naphthalen-2-yl-4,6-bis(4-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 177112498
2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 167183007
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-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-naphthalen-2-yl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 170006850
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-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-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741767
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-naphtho[2,3-b][1]benzofuran-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 167008587
2-cyclohexa-1,5-dien-1-yl-4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-2-ylphenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 174349088
2-cyclohexa-1,5-dien-1-yl-4-naphtho[2,3-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazine
CID 168740292
2,4-dinaphthalen-2-yl-6-(4-phenyldibenzofuran-1-yl)-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[4-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[4-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 163773356
2-naphthalen-2-yl-4-phenyl-6-[4-(1-phenylnaphtho[1,2-b][1]benzofuran-6-yl)naphthalen-1-yl]-1,3,5-triazine
CID 174326022

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-naphthalen-2-yl-6-[4-(4-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine?
The IUPAC name of 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) is 2-cyclohexa-1,5-dien-1-yl-4-naphthalen-2-yl-6-[4-(4-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-4-naphthalen-2-yl-6-[4-(4-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-4-naphthalen-2-yl-6-[4-(4-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine is C1=CC(c2nc(-c3ccc4ccccc4c3)nc(-c3ccc(-c4ccc(-c5ccccc5)c5oc6ccccc6c45)c4ccccc34)n2)=CCC1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-4-naphthalen-2-yl-6-[4-(4-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine?
The InChIKey is MATXTOZJYARGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3O/c1-3-14-31(15-4-1)35-25-27-39(43-41-21-11-12-22-42(41)51-44(35)43)38-26-28-40(37-20-10-9-19-36(37)38)47-49-45(32-16-5-2-6-17-32)48-46(50-47)34-24-23-30-13-7-8-18-33(30)29-34/h1,3-5,7-29H,2,6H2.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-4-naphthalen-2-yl-6-[4-(4-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine?
2-cyclohexa-1,5-dien-1-yl-4-naphthalen-2-yl-6-[4-(4-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine has a molecular weight of 653.79 g/mol, XLogP of 12.48, 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-naphthalen-2-yl-6-[4-(4-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine is sourced from PubChem (CID 170145591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).