2-[8-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine

C47H29N3O — CID 167143605

IUPAC2-[8-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5cc(-c6ccc(-c7cccc8ccccc78)cc6)ccc5oc4c4ccccc34)n2)cc1
InChIInChI=1S/C47H29N3O/c1-3-13-33(14-4-1)45-48-46(34-15-5-2-6-16-34)50-47(49-45)42-29-41-40-28-35(26-27-43(40)51-44(41)39-20-10-9-19-38(39)42)30-22-24-32(25-23-30)37-21-11-17-31-12-7-8-18-36(31)37/h1-29H
InChIKeyPQYCPNUQFUTVNH-UHFFFAOYSA-N
MW651.77 g/mol
LogP12.41
Rot. Bonds5

About 2-[8-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine

2-[8-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 167143605) has the molecular formula C47H29N3O and a molecular weight of 651.77 g/mol. Its IUPAC name is 2-[8-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[8-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID167143605
Molecular FormulaC47H29N3O
Molecular Weight651.77 g/mol
Exact Mass651.23
IUPAC Name2-[8-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5cc(-c6ccc(-c7cccc8ccccc78)cc6)ccc5oc4c4ccccc34)n2)cc1
InChIInChI=1S/C47H29N3O/c1-3-13-33(14-4-1)45-48-46(34-15-5-2-6-16-34)50-47(49-45)42-29-41-40-28-35(26-27-43(40)51-44(41)39-20-10-9-19-38(39)42)30-22-24-32(25-23-30)37-21-11-17-31-12-7-8-18-36(31)37/h1-29H
InChIKeyPQYCPNUQFUTVNH-UHFFFAOYSA-N
XLogP12.41
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.77
LogP ≤ 512.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[8-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-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-[4-(8-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164835026
2,4-diphenyl-6-[8-(6-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine
CID 169048809
2-(8-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 176818440
2-dibenzofuran-4-yl-4-phenyl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 176853479
2-naphthalen-1-yl-4-phenyl-6-(8-phenyldibenzofuran-2-yl)-1,3,5-triazine
CID 176616943
2-phenyl-4-[4-(8-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850254
2-[9-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine
CID 169048797
2-dibenzofuran-2-yl-4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176818616
N-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 169048881
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-[5-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine
CID 167143677
2,4-diphenyl-6-[3-[8-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-1,3,5-triazine
CID 164835332

Frequently Asked Questions

What is the IUPAC name of 2-[8-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[8-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine (CID 167143605) is 2-[8-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[8-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[8-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5cc(-c6ccc(-c7cccc8ccccc78)cc6)ccc5oc4c4ccccc34)n2)cc1.
What is the InChIKey of 2-[8-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is PQYCPNUQFUTVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O/c1-3-13-33(14-4-1)45-48-46(34-15-5-2-6-16-34)50-47(49-45)42-29-41-40-28-35(26-27-43(40)51-44(41)39-20-10-9-19-38(39)42)30-22-24-32(25-23-30)37-21-11-17-31-12-7-8-18-36(31)37/h1-29H.
What are the key properties of 2-[8-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine?
2-[8-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 651.77 g/mol, XLogP of 12.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 167143605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).