2-[4-(10-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine

C53H33N3O — CID 164834753

IUPAC2-[4-(10-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cc6c7cccc(-c8cccc9ccccc89)c7oc6c6ccccc56)cc4)n3)c2)cc1
InChIInChI=1S/C53H33N3O/c1-3-14-34(15-4-1)39-20-11-21-40(32-39)53-55-51(37-17-5-2-6-18-37)54-52(56-53)38-30-28-36(29-31-38)47-33-48-46-27-13-26-45(42-25-12-19-35-16-7-8-22-41(35)42)49(46)57-50(48)44-24-10-9-23-43(44)47/h1-33H
InChIKeyCQEAVFDQJGPEGS-UHFFFAOYSA-N
MW727.87 g/mol
LogP14.08
Rot. Bonds6

About 2-[4-(10-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine

2-[4-(10-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 164834753) has the molecular formula C53H33N3O and a molecular weight of 727.87 g/mol. Its IUPAC name is 2-[4-(10-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(10-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID164834753
Molecular FormulaC53H33N3O
Molecular Weight727.87 g/mol
Exact Mass727.26
IUPAC Name2-[4-(10-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cc6c7cccc(-c8cccc9ccccc89)c7oc6c6ccccc56)cc4)n3)c2)cc1
InChIInChI=1S/C53H33N3O/c1-3-14-34(15-4-1)39-20-11-21-40(32-39)53-55-51(37-17-5-2-6-18-37)54-52(56-53)38-30-28-36(29-31-38)47-33-48-46-27-13-26-45(42-25-12-19-35-16-7-8-22-41(35)42)49(46)57-50(48)44-24-10-9-23-43(44)47/h1-33H
InChIKeyCQEAVFDQJGPEGS-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

Analyze 2-[4-(10-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-diphenyl-6-[5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]-1,3,5-triazine
CID 176818567
2,4-diphenyl-6-[4-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]-1,3,5-triazine
CID 164834775
2,4-diphenyl-6-[3-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]-1,3,5-triazine
CID 164835357
2-phenyl-4-(3-phenylphenyl)-6-[4-[6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 177144922
2-(6-naphthalen-1-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953235
2-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 176817768
2-(4-naphthalen-1-ylphenyl)-4-phenyl-6-[5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-yl]-1,3,5-triazine
CID 176818283
2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 167403415
2-phenyl-4-(3-phenylphenyl)-6-[3-phenyl-5-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 118650966
2-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176817618
2-[4-[4-(8-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164835026
2-dibenzofuran-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 155763951

Frequently Asked Questions

What is the IUPAC name of 2-[4-(10-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 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) is 2-[4-(10-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[4-(10-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[4-(10-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cc6c7cccc(-c8cccc9ccccc89)c7oc6c6ccccc56)cc4)n3)c2)cc1.
What is the InChIKey of 2-[4-(10-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is CQEAVFDQJGPEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3O/c1-3-14-34(15-4-1)39-20-11-21-40(32-39)53-55-51(37-17-5-2-6-18-37)54-52(56-53)38-30-28-36(29-31-38)47-33-48-46-27-13-26-45(42-25-12-19-35-16-7-8-22-41(35)42)49(46)57-50(48)44-24-10-9-23-43(44)47/h1-33H.
What are the key properties of 2-[4-(10-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
2-[4-(10-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-4-phenyl-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-[4-(10-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 164834753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).