2-(3,5-diphenylphenyl)-4-phenyl-6-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine

C49H31N3O — CID 176853741

IUPAC2-(3,5-diphenylphenyl)-4-phenyl-6-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4cc5c6ccccc6oc5c5c(-c6ccccc6)cccc45)n3)c2)cc1
InChIInChI=1S/C49H31N3O/c1-5-16-32(17-6-1)36-28-37(33-18-7-2-8-19-33)30-38(29-36)48-50-47(35-22-11-4-12-23-35)51-49(52-48)43-31-42-40-24-13-14-27-44(40)53-46(42)45-39(25-15-26-41(43)45)34-20-9-3-10-21-34/h1-31H
InChIKeyVKWMTMNTCIYIDB-UHFFFAOYSA-N
MW677.81 g/mol
LogP12.93
Rot. Bonds6

About 2-(3,5-diphenylphenyl)-4-phenyl-6-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine

2-(3,5-diphenylphenyl)-4-phenyl-6-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine (PubChem CID 176853741) has the molecular formula C49H31N3O and a molecular weight of 677.81 g/mol. Its IUPAC name is 2-(3,5-diphenylphenyl)-4-phenyl-6-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(3,5-diphenylphenyl)-4-phenyl-6-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
PubChem CID176853741
Molecular FormulaC49H31N3O
Molecular Weight677.81 g/mol
Exact Mass677.25
IUPAC Name2-(3,5-diphenylphenyl)-4-phenyl-6-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4cc5c6ccccc6oc5c5c(-c6ccccc6)cccc45)n3)c2)cc1
InChIInChI=1S/C49H31N3O/c1-5-16-32(17-6-1)36-28-37(33-18-7-2-8-19-33)30-38(29-36)48-50-47(35-22-11-4-12-23-35)51-49(52-48)43-31-42-40-24-13-14-27-44(40)53-46(42)45-39(25-15-26-41(43)45)34-20-9-3-10-21-34/h1-31H
InChIKeyVKWMTMNTCIYIDB-UHFFFAOYSA-N
XLogP12.93
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.81
LogP ≤ 512.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3,5-diphenylphenyl)-4-phenyl-6-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine with MolForge

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Related Compounds

2-phenyl-4-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 176853882
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 176853545
2-naphthalen-2-yl-4-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176853985
2-dibenzofuran-4-yl-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 139441684
2-dibenzofuran-4-yl-4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176818511
2-dibenzofuran-4-yl-4-phenyl-6-(4-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
CID 176853441
2-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 155077744
2-(4-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176853535
2,4-diphenyl-6-[3-phenyl-5-(4-phenyldibenzofuran-2-yl)phenyl]-1,3,5-triazine
CID 146369018
2-dibenzofuran-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155481524
2-[4-(3,5-diphenylphenyl)phenyl]-4-naphtho[1,2-b][1]benzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 154948000
2-dibenzofuran-4-yl-4-phenyl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 176853479

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diphenylphenyl)-4-phenyl-6-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine?
The IUPAC name of 2-(3,5-diphenylphenyl)-4-phenyl-6-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine (CID 176853741) is 2-(3,5-diphenylphenyl)-4-phenyl-6-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(3,5-diphenylphenyl)-4-phenyl-6-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine?
The canonical SMILES for 2-(3,5-diphenylphenyl)-4-phenyl-6-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine is c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4cc5c6ccccc6oc5c5c(-c6ccccc6)cccc45)n3)c2)cc1.
What is the InChIKey of 2-(3,5-diphenylphenyl)-4-phenyl-6-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine?
The InChIKey is VKWMTMNTCIYIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3O/c1-5-16-32(17-6-1)36-28-37(33-18-7-2-8-19-33)30-38(29-36)48-50-47(35-22-11-4-12-23-35)51-49(52-48)43-31-42-40-24-13-14-27-44(40)53-46(42)45-39(25-15-26-41(43)45)34-20-9-3-10-21-34/h1-31H.
What are the key properties of 2-(3,5-diphenylphenyl)-4-phenyl-6-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine?
2-(3,5-diphenylphenyl)-4-phenyl-6-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine has a molecular weight of 677.81 g/mol, XLogP of 12.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diphenylphenyl)-4-phenyl-6-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine is sourced from PubChem (CID 176853741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).