2-phenyl-4-[9-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzofuran-5-yl]-6-(3-phenylphenyl)-1,3,5-triazine

C53H33N3O — CID 156558207

IUPAC2-phenyl-4-[9-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzofuran-5-yl]-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cc5oc6cc(-c7ccc(-c8ccccc8)c8ccccc78)ccc6c5c5ccccc45)n3)c2)cc1
InChIInChI=1S/C53H33N3O/c1-4-15-34(16-5-1)37-21-14-22-39(31-37)52-54-51(36-19-8-3-9-20-36)55-53(56-52)47-33-49-50(45-26-13-12-25-44(45)47)46-28-27-38(32-48(46)57-49)41-30-29-40(35-17-6-2-7-18-35)42-23-10-11-24-43(41)42/h1-33H
InChIKeyFJFXULLFSLPIRJ-UHFFFAOYSA-N
MW727.87 g/mol
LogP14.08
Rot. Bonds6

About 2-phenyl-4-[9-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzofuran-5-yl]-6-(3-phenylphenyl)-1,3,5-triazine

2-phenyl-4-[9-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzofuran-5-yl]-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 156558207) has the molecular formula C53H33N3O and a molecular weight of 727.87 g/mol. Its IUPAC name is 2-phenyl-4-[9-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzofuran-5-yl]-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-[9-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzofuran-5-yl]-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID156558207
Molecular FormulaC53H33N3O
Molecular Weight727.87 g/mol
Exact Mass727.26
IUPAC Name2-phenyl-4-[9-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzofuran-5-yl]-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cc5oc6cc(-c7ccc(-c8ccccc8)c8ccccc78)ccc6c5c5ccccc45)n3)c2)cc1
InChIInChI=1S/C53H33N3O/c1-4-15-34(16-5-1)37-21-14-22-39(31-37)52-54-51(36-19-8-3-9-20-36)55-53(56-52)47-33-49-50(45-26-13-12-25-44(45)47)46-28-27-38(32-48(46)57-49)41-30-29-40(35-17-6-2-7-18-35)42-23-10-11-24-43(41)42/h1-33H
InChIKeyFJFXULLFSLPIRJ-UHFFFAOYSA-N
XLogP14.08
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.87
LogP ≤ 514.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-dibenzofuran-3-yldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 155079176
2-phenyl-4-[7-(4-phenyldibenzofuran-1-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170206981
2-dibenzofuran-3-yl-4-[4-(4-dibenzofuran-3-yldibenzofuran-1-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 155077748
2-(10-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 167143797
2-naphtho[2,1-b][1]benzofuran-5-yl-4-(4-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 170019606
2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-dibenzofuran-3-ylnaphthalen-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 165057936
2-dibenzofuran-1-yl-4-[3-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 163687766
2-dibenzofuran-1-yl-4-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 163779888
2,4-bis(3-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine;2-(3,5-diphenylphenyl)-4-(9-phenyldibenzofuran-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-(3,5-diphenylphenyl)-4-(9-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 165042991
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 167402174
2-naphthalen-1-yl-4-(4-naphthalen-1-ylphenyl)-6-[4-(9-phenyldibenzofuran-3-yl)naphthalen-1-yl]-1,3,5-triazine
CID 170213995
2,4-diphenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164797247

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[9-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzofuran-5-yl]-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-[9-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzofuran-5-yl]-6-(3-phenylphenyl)-1,3,5-triazine (CID 156558207) is 2-phenyl-4-[9-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzofuran-5-yl]-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-[9-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzofuran-5-yl]-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-[9-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzofuran-5-yl]-6-(3-phenylphenyl)-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cc5oc6cc(-c7ccc(-c8ccccc8)c8ccccc78)ccc6c5c5ccccc45)n3)c2)cc1.
What is the InChIKey of 2-phenyl-4-[9-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzofuran-5-yl]-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is FJFXULLFSLPIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3O/c1-4-15-34(16-5-1)37-21-14-22-39(31-37)52-54-51(36-19-8-3-9-20-36)55-53(56-52)47-33-49-50(45-26-13-12-25-44(45)47)46-28-27-38(32-48(46)57-49)41-30-29-40(35-17-6-2-7-18-35)42-23-10-11-24-43(41)42/h1-33H.
What are the key properties of 2-phenyl-4-[9-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzofuran-5-yl]-6-(3-phenylphenyl)-1,3,5-triazine?
2-phenyl-4-[9-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzofuran-5-yl]-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 727.87 g/mol, XLogP of 14.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[9-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzofuran-5-yl]-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 156558207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).