2-phenyl-4,6-bis(9-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine

C53H31N3O2 — CID 176775616

IUPAC2-phenyl-4,6-bis(9-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3c(c2)oc2c4ccccc4cc(-c4nc(-c5ccccc5)nc(-c5cc6ccccc6c6oc7cc(-c8ccccc8)ccc7c56)n4)c32)cc1
InChIInChI=1S/C53H31N3O2/c1-4-14-32(15-5-1)35-24-26-41-45(30-35)57-49-39-22-12-10-20-37(39)28-43(47(41)49)52-54-51(34-18-8-3-9-19-34)55-53(56-52)44-29-38-21-11-13-23-40(38)50-48(44)42-27-25-36(31-46(42)58-50)33-16-6-2-7-17-33/h1-31H
InChIKeyWMLNLPJODJPGNJ-UHFFFAOYSA-N
MW741.85 g/mol
LogP14.31
Rot. Bonds5

About 2-phenyl-4,6-bis(9-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine

2-phenyl-4,6-bis(9-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine (PubChem CID 176775616) has the molecular formula C53H31N3O2 and a molecular weight of 741.85 g/mol. Its IUPAC name is 2-phenyl-4,6-bis(9-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4,6-bis(9-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
PubChem CID176775616
Molecular FormulaC53H31N3O2
Molecular Weight741.85 g/mol
Exact Mass741.24
IUPAC Name2-phenyl-4,6-bis(9-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3c(c2)oc2c4ccccc4cc(-c4nc(-c5ccccc5)nc(-c5cc6ccccc6c6oc7cc(-c8ccccc8)ccc7c56)n4)c32)cc1
InChIInChI=1S/C53H31N3O2/c1-4-14-32(15-5-1)35-24-26-41-45(30-35)57-49-39-22-12-10-20-37(39)28-43(47(41)49)52-54-51(34-18-8-3-9-19-34)55-53(56-52)44-29-38-21-11-13-23-40(38)50-48(44)42-27-25-36(31-46(42)58-50)33-16-6-2-7-17-33/h1-31H
InChIKeyWMLNLPJODJPGNJ-UHFFFAOYSA-N
XLogP14.31
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.85
LogP ≤ 514.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-phenyl-4,6-bis(9-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-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-naphthalen-2-yl-4-(9-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-6-yl)-6-phenyl-1,3,5-triazine
CID 177130942
2,4-diphenyl-6-[6-(6-phenylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-1,3,5-triazine
CID 177130949
2-phenyl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176853446
2-(9-dibenzothiophen-2-ylnaphtho[1,2-b][1]benzofuran-6-yl)-4,6-diphenyl-1,3,5-triazine
CID 177130835
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
CID 176853943
2-naphthalen-2-yl-4-(2-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176853968
2-(9-chloronaphtho[1,2-b][1]benzofuran-6-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 155122129
2-naphthalen-2-yl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176854017
2-dibenzofuran-4-yl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176853960
2-(9-dibenzothiophen-4-ylnaphtho[1,2-b][1]benzofuran-6-yl)-4,6-diphenyl-1,3,5-triazine
CID 177130748
4-naphthalen-2-yl-2-phenyl-6-(6-phenylnaphtho[1,2-b][1]benzofuran-9-yl)pyrimidine
CID 169048803
2-phenyl-4-[4-(2-phenylnaphtho[1,2-b][1]benzofuran-6-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 176853688

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4,6-bis(9-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine?
The IUPAC name of 2-phenyl-4,6-bis(9-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine (CID 176775616) is 2-phenyl-4,6-bis(9-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4,6-bis(9-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4,6-bis(9-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine is c1ccc(-c2ccc3c(c2)oc2c4ccccc4cc(-c4nc(-c5ccccc5)nc(-c5cc6ccccc6c6oc7cc(-c8ccccc8)ccc7c56)n4)c32)cc1.
What is the InChIKey of 2-phenyl-4,6-bis(9-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine?
The InChIKey is WMLNLPJODJPGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H31N3O2/c1-4-14-32(15-5-1)35-24-26-41-45(30-35)57-49-39-22-12-10-20-37(39)28-43(47(41)49)52-54-51(34-18-8-3-9-19-34)55-53(56-52)44-29-38-21-11-13-23-40(38)50-48(44)42-27-25-36(31-46(42)58-50)33-16-6-2-7-17-33/h1-31H.
What are the key properties of 2-phenyl-4,6-bis(9-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine?
2-phenyl-4,6-bis(9-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine has a molecular weight of 741.85 g/mol, XLogP of 14.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4,6-bis(9-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine is sourced from PubChem (CID 176775616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).