2-(8-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine

C49H33N3O — CID 170021922

IUPAC2-(8-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
SMILESC1=CC2Oc3ccc(-c4ccc5ccccc5c4)cc3C2C(c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)n2)=C1
InChIInChI=1S/C49H33N3O/c1-3-10-32(11-4-1)34-18-20-35(21-19-34)36-22-25-38(26-23-36)48-50-47(37-13-5-2-6-14-37)51-49(52-48)42-16-9-17-45-46(42)43-31-41(28-29-44(43)53-45)40-27-24-33-12-7-8-15-39(33)30-40/h1-31,45-46H
InChIKeySYTQTFOLBXHOCZ-UHFFFAOYSA-N
MW679.82 g/mol
LogP11.86
Rot. Bonds6

About 2-(8-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine

2-(8-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 170021922) has the molecular formula C49H33N3O and a molecular weight of 679.82 g/mol. Its IUPAC name is 2-(8-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-(8-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
PubChem CID170021922
Molecular FormulaC49H33N3O
Molecular Weight679.82 g/mol
Exact Mass679.26
IUPAC Name2-(8-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
SMILESC1=CC2Oc3ccc(-c4ccc5ccccc5c4)cc3C2C(c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)n2)=C1
InChIInChI=1S/C49H33N3O/c1-3-10-32(11-4-1)34-18-20-35(21-19-34)36-22-25-38(26-23-36)48-50-47(37-13-5-2-6-14-37)51-49(52-48)42-16-9-17-45-46(42)43-31-41(28-29-44(43)53-45)40-27-24-33-12-7-8-15-39(33)30-40/h1-31,45-46H
InChIKeySYTQTFOLBXHOCZ-UHFFFAOYSA-N
XLogP11.86
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.82
LogP ≤ 511.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(8-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-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-(7-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 170424177
2-phenyl-4-(4-phenylphenyl)-6-[7-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-1-yl]-1,3,5-triazine
CID 167184052
2-[2-(4a,9b-dihydrodibenzofuran-1-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166741609
2-dibenzothiophen-1-yl-4-phenyl-6-(8-phenyl-4a,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine
CID 170011216
2-naphthalen-1-yl-4-phenyl-6-[9-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-1-yl]-1,3,5-triazine
CID 170007353
2,4-bis(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 153292216
2,4-dinaphthalen-2-yl-6-(3-phenyl-4a,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine
CID 166845890
2-dibenzothiophen-2-yl-4-(7-dibenzothiophen-1-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170011885
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170180018
2-[5-[4-(4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]benzonitrile
CID 168731978
2-(7-dibenzothiophen-4-yl-4a,9b-dihydrodibenzofuran-1-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 167007927
2,4-diphenyl-6-[4-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 166737815

Frequently Asked Questions

What is the IUPAC name of 2-(8-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-(8-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine (CID 170021922) is 2-(8-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-(8-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-(8-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine is C1=CC2Oc3ccc(-c4ccc5ccccc5c4)cc3C2C(c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)n2)=C1.
What is the InChIKey of 2-(8-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is SYTQTFOLBXHOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N3O/c1-3-10-32(11-4-1)34-18-20-35(21-19-34)36-22-25-38(26-23-36)48-50-47(37-13-5-2-6-14-37)51-49(52-48)42-16-9-17-45-46(42)43-31-41(28-29-44(43)53-45)40-27-24-33-12-7-8-15-39(33)30-40/h1-31,45-46H.
What are the key properties of 2-(8-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine?
2-(8-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 679.82 g/mol, XLogP of 11.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 170021922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).