2,4-diphenyl-6-[6-[7-(3-phenylphenyl)dibenzofuran-3-yl]naphthalen-2-yl]-1,3,5-triazine

C49H31N3O — CID 171596932

IUPAC2,4-diphenyl-6-[6-[7-(3-phenylphenyl)dibenzofuran-3-yl]naphthalen-2-yl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3ccc4c(c3)oc3cc(-c5ccc6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc6c5)ccc34)c2)cc1
InChIInChI=1S/C49H31N3O/c1-4-11-32(12-5-1)35-17-10-18-36(27-35)40-23-25-43-44-26-24-41(31-46(44)53-45(43)30-40)38-19-20-39-29-42(22-21-37(39)28-38)49-51-47(33-13-6-2-7-14-33)50-48(52-49)34-15-8-3-9-16-34/h1-31H
InChIKeySEYXLONSFUCJOM-UHFFFAOYSA-N
MW677.81 g/mol
LogP12.93
Rot. Bonds6

About 2,4-diphenyl-6-[6-[7-(3-phenylphenyl)dibenzofuran-3-yl]naphthalen-2-yl]-1,3,5-triazine

2,4-diphenyl-6-[6-[7-(3-phenylphenyl)dibenzofuran-3-yl]naphthalen-2-yl]-1,3,5-triazine (PubChem CID 171596932) has the molecular formula C49H31N3O and a molecular weight of 677.81 g/mol. Its IUPAC name is 2,4-diphenyl-6-[6-[7-(3-phenylphenyl)dibenzofuran-3-yl]naphthalen-2-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[6-[7-(3-phenylphenyl)dibenzofuran-3-yl]naphthalen-2-yl]-1,3,5-triazine
PubChem CID171596932
Molecular FormulaC49H31N3O
Molecular Weight677.81 g/mol
Exact Mass677.25
IUPAC Name2,4-diphenyl-6-[6-[7-(3-phenylphenyl)dibenzofuran-3-yl]naphthalen-2-yl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3ccc4c(c3)oc3cc(-c5ccc6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc6c5)ccc34)c2)cc1
InChIInChI=1S/C49H31N3O/c1-4-11-32(12-5-1)35-17-10-18-36(27-35)40-23-25-43-44-26-24-41(31-46(44)53-45(43)30-40)38-19-20-39-29-42(22-21-37(39)28-38)49-51-47(33-13-6-2-7-14-33)50-48(52-49)34-15-8-3-9-16-34/h1-31H
InChIKeySEYXLONSFUCJOM-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-diphenyl-6-[6-[7-(3-phenylphenyl)dibenzofuran-3-yl]naphthalen-2-yl]-1,3,5-triazine with MolForge

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Related Compounds

2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine
CID 170213966
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-phenyl-4-(4-phenylphenyl)-6-[7-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 166952902
2-(4-dibenzofuran-3-ylphenyl)-4-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425264
2-dibenzofuran-3-yl-4-(4-dibenzofuran-3-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850143
2-dibenzofuran-3-yl-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 138625817
2-dibenzofuran-3-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 139571676
2,4-diphenyl-6-[8-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 171414951
2-phenyl-4-(8-phenyldibenzofuran-3-yl)-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155773119
2-(4-dibenzofuran-3-ylphenyl)-4-[3-(3,5-diphenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850214
2-phenyl-4-(4-phenylphenyl)-6-[3-[7-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]-1,3,5-triazine
CID 155773210

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[6-[7-(3-phenylphenyl)dibenzofuran-3-yl]naphthalen-2-yl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[6-[7-(3-phenylphenyl)dibenzofuran-3-yl]naphthalen-2-yl]-1,3,5-triazine (CID 171596932) is 2,4-diphenyl-6-[6-[7-(3-phenylphenyl)dibenzofuran-3-yl]naphthalen-2-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[6-[7-(3-phenylphenyl)dibenzofuran-3-yl]naphthalen-2-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[6-[7-(3-phenylphenyl)dibenzofuran-3-yl]naphthalen-2-yl]-1,3,5-triazine is c1ccc(-c2cccc(-c3ccc4c(c3)oc3cc(-c5ccc6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc6c5)ccc34)c2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[6-[7-(3-phenylphenyl)dibenzofuran-3-yl]naphthalen-2-yl]-1,3,5-triazine?
The InChIKey is SEYXLONSFUCJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3O/c1-4-11-32(12-5-1)35-17-10-18-36(27-35)40-23-25-43-44-26-24-41(31-46(44)53-45(43)30-40)38-19-20-39-29-42(22-21-37(39)28-38)49-51-47(33-13-6-2-7-14-33)50-48(52-49)34-15-8-3-9-16-34/h1-31H.
What are the key properties of 2,4-diphenyl-6-[6-[7-(3-phenylphenyl)dibenzofuran-3-yl]naphthalen-2-yl]-1,3,5-triazine?
2,4-diphenyl-6-[6-[7-(3-phenylphenyl)dibenzofuran-3-yl]naphthalen-2-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 2,4-diphenyl-6-[6-[7-(3-phenylphenyl)dibenzofuran-3-yl]naphthalen-2-yl]-1,3,5-triazine is sourced from PubChem (CID 171596932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).