2-naphthalen-2-yl-4-(7-phenyldibenzofuran-1-yl)-6-[4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine

C49H33N3O — CID 170424272

IUPAC2-naphthalen-2-yl-4-(7-phenyldibenzofuran-1-yl)-6-[4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine
SMILESC1=CC(c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4oc5cc(-c6ccccc6)ccc5c34)n2)CC=C1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C49H33N3O/c1-3-10-32(11-4-1)35-18-20-36(21-19-35)37-22-25-38(26-23-37)47-50-48(41-27-24-34-14-7-8-15-39(34)30-41)52-49(51-47)43-16-9-17-44-46(43)42-29-28-40(31-45(42)53-44)33-12-5-2-6-13-33/h1-25,27-31,38H,26H2
InChIKeyABOHXTOSUDIHEK-UHFFFAOYSA-N
MW679.82 g/mol
LogP12.72
Rot. Bonds6

About 2-naphthalen-2-yl-4-(7-phenyldibenzofuran-1-yl)-6-[4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine

2-naphthalen-2-yl-4-(7-phenyldibenzofuran-1-yl)-6-[4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine (PubChem CID 170424272) has the molecular formula C49H33N3O and a molecular weight of 679.82 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-(7-phenyldibenzofuran-1-yl)-6-[4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-(7-phenyldibenzofuran-1-yl)-6-[4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine
PubChem CID170424272
Molecular FormulaC49H33N3O
Molecular Weight679.82 g/mol
Exact Mass679.26
IUPAC Name2-naphthalen-2-yl-4-(7-phenyldibenzofuran-1-yl)-6-[4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine
SMILESC1=CC(c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4oc5cc(-c6ccccc6)ccc5c34)n2)CC=C1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C49H33N3O/c1-3-10-32(11-4-1)35-18-20-36(21-19-35)37-22-25-38(26-23-37)47-50-48(41-27-24-34-14-7-8-15-39(34)30-41)52-49(51-47)43-16-9-17-44-46(43)42-29-28-40(31-45(42)53-44)33-12-5-2-6-13-33/h1-25,27-31,38H,26H2
InChIKeyABOHXTOSUDIHEK-UHFFFAOYSA-N
XLogP12.72
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.82
LogP ≤ 512.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 166743599
2-dibenzofuran-1-yl-4-(4-phenylcyclohexa-2,4-dien-1-yl)-6-[4-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 167007919
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(4-phenylcyclohexa-1,5-dien-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 177112927
2-(3-naphthalen-2-ylphenyl)-4-(3-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797575
2-[6-(7-naphthalen-2-yldibenzofuran-1-yl)naphthalen-2-yl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 166742881
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 166742927
2-naphthalen-2-yl-4-(7-phenanthren-3-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741117
2-[3-(1,2-dihydronaphthalen-2-yl)-4-phenylphenyl]-4-naphthalen-2-yl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 170237130
2-naphthalen-2-yl-4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 177273064
2-(3-naphthalen-2-ylphenyl)-4-phenyl-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 164798209
2-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797715
2-dibenzofuran-1-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 164747858

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-(7-phenyldibenzofuran-1-yl)-6-[4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine?
The IUPAC name of 2-naphthalen-2-yl-4-(7-phenyldibenzofuran-1-yl)-6-[4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine (CID 170424272) is 2-naphthalen-2-yl-4-(7-phenyldibenzofuran-1-yl)-6-[4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-4-(7-phenyldibenzofuran-1-yl)-6-[4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-4-(7-phenyldibenzofuran-1-yl)-6-[4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine is C1=CC(c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4oc5cc(-c6ccccc6)ccc5c34)n2)CC=C1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-4-(7-phenyldibenzofuran-1-yl)-6-[4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine?
The InChIKey is ABOHXTOSUDIHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N3O/c1-3-10-32(11-4-1)35-18-20-36(21-19-35)37-22-25-38(26-23-37)47-50-48(41-27-24-34-14-7-8-15-39(34)30-41)52-49(51-47)43-16-9-17-44-46(43)42-29-28-40(31-45(42)53-44)33-12-5-2-6-13-33/h1-25,27-31,38H,26H2.
What are the key properties of 2-naphthalen-2-yl-4-(7-phenyldibenzofuran-1-yl)-6-[4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine?
2-naphthalen-2-yl-4-(7-phenyldibenzofuran-1-yl)-6-[4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine has a molecular weight of 679.82 g/mol, XLogP of 12.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-4-(7-phenyldibenzofuran-1-yl)-6-[4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine is sourced from PubChem (CID 170424272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).