2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine

C49H31N3O — CID 170213966

IUPAC2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc3c(c2)oc2cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccc8ccccc8c7)cc6)n5)cc4)ccc23)cc1
InChIInChI=1S/C49H31N3O/c1-3-9-32(10-4-1)41-25-27-43-44-28-26-42(31-46(44)53-45(43)30-41)35-17-22-38(23-18-35)49-51-47(36-12-5-2-6-13-36)50-48(52-49)37-20-15-34(16-21-37)40-24-19-33-11-7-8-14-39(33)29-40/h1-31H
InChIKeyINKVIMWLHQBCDF-UHFFFAOYSA-N
MW677.81 g/mol
LogP12.93
Rot. Bonds6

About 2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine

2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine (PubChem CID 170213966) has the molecular formula C49H31N3O and a molecular weight of 677.81 g/mol. Its IUPAC name is 2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine
PubChem CID170213966
Molecular FormulaC49H31N3O
Molecular Weight677.81 g/mol
Exact Mass677.25
IUPAC Name2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc3c(c2)oc2cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccc8ccccc8c7)cc6)n5)cc4)ccc23)cc1
InChIInChI=1S/C49H31N3O/c1-3-9-32(10-4-1)41-25-27-43-44-28-26-42(31-46(44)53-45(43)30-41)35-17-22-38(23-18-35)49-51-47(36-12-5-2-6-13-36)50-48(52-49)37-20-15-34(16-21-37)40-24-19-33-11-7-8-14-39(33)29-40/h1-31H
InChIKeyINKVIMWLHQBCDF-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-(4-naphthalen-2-ylphenyl)-4-phenyl-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine with MolForge

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Related Compounds

2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine
CID 170213969
2-(7-naphthalen-2-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 142491219
2-dibenzofuran-3-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 139571676
2-(8-naphthalen-2-yldibenzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 167402984
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 177119872
2-naphthalen-2-yl-4-(6-naphtho[2,3-b][1]benzofuran-3-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 146919730
2,4-diphenyl-6-[6-[7-(3-phenylphenyl)dibenzofuran-3-yl]naphthalen-2-yl]-1,3,5-triazine
CID 171596932
2,4-dinaphthalen-2-yl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine
CID 176616855
2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazine
CID 163675937
2-phenyl-4-(4-phenylphenyl)-6-[7-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 166952902
2-(3-dibenzofuran-3-yl-5-phenylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 172545443
2-naphtho[2,3-b][1]benzofuran-3-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 163563632

Frequently Asked Questions

What is the IUPAC name of 2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine (CID 170213966) is 2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine is c1ccc(-c2ccc3c(c2)oc2cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccc8ccccc8c7)cc6)n5)cc4)ccc23)cc1.
What is the InChIKey of 2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine?
The InChIKey is INKVIMWLHQBCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3O/c1-3-9-32(10-4-1)41-25-27-43-44-28-26-42(31-46(44)53-45(43)30-41)35-17-22-38(23-18-35)49-51-47(36-12-5-2-6-13-36)50-48(52-49)37-20-15-34(16-21-37)40-24-19-33-11-7-8-14-39(33)29-40/h1-31H.
What are the key properties of 2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine?
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-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-(4-naphthalen-2-ylphenyl)-4-phenyl-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 170213966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).