2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine

C55H33N3O — CID 174208962

IUPAC2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3ccc(-c4nc(-c5ccc6ccc(-c7ccc8ccccc8c7)cc6c5)nc(-c5ccc6cc7c(cc6c5)oc5ccccc57)n4)cc3c2)cc1
InChIInChI=1S/C55H33N3O/c1-2-8-34(9-3-1)39-19-15-36-17-23-43(29-46(36)27-39)53-56-54(44-24-18-37-16-21-41(28-47(37)30-44)40-20-14-35-10-4-5-11-38(35)26-40)58-55(57-53)45-25-22-42-32-50-49-12-6-7-13-51(49)59-52(50)33-48(42)31-45/h1-33H
InChIKeyYMVYKQWOAURCPM-UHFFFAOYSA-N
MW751.89 g/mol
LogP14.72
Rot. Bonds5

About 2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine

2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine (PubChem CID 174208962) has the molecular formula C55H33N3O and a molecular weight of 751.89 g/mol. Its IUPAC name is 2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
PubChem CID174208962
Molecular FormulaC55H33N3O
Molecular Weight751.89 g/mol
Exact Mass751.26
IUPAC Name2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3ccc(-c4nc(-c5ccc6ccc(-c7ccc8ccccc8c7)cc6c5)nc(-c5ccc6cc7c(cc6c5)oc5ccccc57)n4)cc3c2)cc1
InChIInChI=1S/C55H33N3O/c1-2-8-34(9-3-1)39-19-15-36-17-23-43(29-46(36)27-39)53-56-54(44-24-18-37-16-21-41(28-47(37)30-44)40-20-14-35-10-4-5-11-38(35)26-40)58-55(57-53)45-25-22-42-32-50-49-12-6-7-13-51(49)59-52(50)33-48(42)31-45/h1-33H
InChIKeyYMVYKQWOAURCPM-UHFFFAOYSA-N
XLogP14.72
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.89
LogP ≤ 514.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-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-(3-naphtho[2,3-b][1]benzofuran-9-ylphenyl)-6-phenyl-1,3,5-triazine
CID 155769859
2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 177119766
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-naphtho[3,2-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazine
CID 154614265
2-(4-naphthalen-1-ylphenyl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174208954
2-dibenzofuran-2-yl-4-(3-naphthalen-2-ylphenyl)-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 170942483
2-dibenzofuran-3-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 139571676
2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-2-yl-1,3,5-triazine
CID 158181891
2-dibenzofuran-1-yl-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174198496
2-naphthalen-2-yl-4-naphtho[2,3-b][1]benzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 163505660
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 177119872
2-naphthalen-2-yl-4-(6-naphtho[2,3-b][1]benzofuran-3-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 146919730
2,4-dinaphthalen-2-yl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine
CID 176616855

Frequently Asked Questions

What is the IUPAC name of 2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine?
The IUPAC name of 2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine (CID 174208962) is 2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine?
The canonical SMILES for 2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine is c1ccc(-c2ccc3ccc(-c4nc(-c5ccc6ccc(-c7ccc8ccccc8c7)cc6c5)nc(-c5ccc6cc7c(cc6c5)oc5ccccc57)n4)cc3c2)cc1.
What is the InChIKey of 2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine?
The InChIKey is YMVYKQWOAURCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N3O/c1-2-8-34(9-3-1)39-19-15-36-17-23-43(29-46(36)27-39)53-56-54(44-24-18-37-16-21-41(28-47(37)30-44)40-20-14-35-10-4-5-11-38(35)26-40)58-55(57-53)45-25-22-42-32-50-49-12-6-7-13-51(49)59-52(50)33-48(42)31-45/h1-33H.
What are the key properties of 2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine?
2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine has a molecular weight of 751.89 g/mol, XLogP of 14.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine is sourced from PubChem (CID 174208962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).