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

C49H31N3O — CID 168721799

IUPAC2-[3-(4-naphthalen-1-yl-6-phenyldibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5cccc6ccccc56)c5oc6c(-c7ccccc7)cccc6c45)c3)n2)cc1
InChIInChI=1S/C49H31N3O/c1-4-15-33(16-5-1)40-26-14-28-43-44-39(29-30-42(46(44)53-45(40)43)41-27-13-22-32-17-10-11-25-38(32)41)36-23-12-24-37(31-36)49-51-47(34-18-6-2-7-19-34)50-48(52-49)35-20-8-3-9-21-35/h1-31H
InChIKeyBNLVXPPFVICICZ-UHFFFAOYSA-N
MW677.81 g/mol
LogP12.93
Rot. Bonds6

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

2-[3-(4-naphthalen-1-yl-6-phenyldibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 168721799) has the molecular formula C49H31N3O and a molecular weight of 677.81 g/mol. Its IUPAC name is 2-[3-(4-naphthalen-1-yl-6-phenyldibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(4-naphthalen-1-yl-6-phenyldibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID168721799
Molecular FormulaC49H31N3O
Molecular Weight677.81 g/mol
Exact Mass677.25
IUPAC Name2-[3-(4-naphthalen-1-yl-6-phenyldibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5cccc6ccccc56)c5oc6c(-c7ccccc7)cccc6c45)c3)n2)cc1
InChIInChI=1S/C49H31N3O/c1-4-15-33(16-5-1)40-26-14-28-43-44-39(29-30-42(46(44)53-45(40)43)41-27-13-22-32-17-10-11-25-38(32)41)36-23-12-24-37(31-36)49-51-47(34-18-6-2-7-19-34)50-48(52-49)35-20-8-3-9-21-35/h1-31H
InChIKeyBNLVXPPFVICICZ-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-(4-naphthalen-1-yl-6-phenyldibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-[4-[7-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 167424183
2-(6,9-diphenyldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 164838500
2-(1,6-diphenyldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 164838475
2,4-diphenyl-6-[3-phenyl-5-[6-(4-phenylphenyl)-1-[3-[4-phenyl-6-[4-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 163937678
2-phenyl-4,6-bis[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 139549183
2-[3-[3-(4-naphthalen-1-ylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 134430152
2-(6-naphthalen-1-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953235
2,4-diphenyl-6-[3-(4-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 130289437
2,4-bis(4-methylphenyl)-6-[7-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]-1,3,5-triazine
CID 169280939
2-[4-(10-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 164834753
2,4-diphenyl-6-[3-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]-1,3,5-triazine
CID 164835357
2,4-diphenyl-6-[6-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-yl]-1,3,5-triazine
CID 171414948

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-naphthalen-1-yl-6-phenyldibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-(4-naphthalen-1-yl-6-phenyldibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (CID 168721799) is 2-[3-(4-naphthalen-1-yl-6-phenyldibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-(4-naphthalen-1-yl-6-phenyldibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-(4-naphthalen-1-yl-6-phenyldibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5cccc6ccccc56)c5oc6c(-c7ccccc7)cccc6c45)c3)n2)cc1.
What is the InChIKey of 2-[3-(4-naphthalen-1-yl-6-phenyldibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is BNLVXPPFVICICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3O/c1-4-15-33(16-5-1)40-26-14-28-43-44-39(29-30-42(46(44)53-45(40)43)41-27-13-22-32-17-10-11-25-38(32)41)36-23-12-24-37(31-36)49-51-47(34-18-6-2-7-19-34)50-48(52-49)35-20-8-3-9-21-35/h1-31H.
What are the key properties of 2-[3-(4-naphthalen-1-yl-6-phenyldibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[3-(4-naphthalen-1-yl-6-phenyldibenzofuran-1-yl)phenyl]-4,6-diphenyl-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-(4-naphthalen-1-yl-6-phenyldibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 168721799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).