2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazinane

C49H37N3O — CID 167029965

IUPAC2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazinane
SMILESc1ccc(-c2ccc(-c3ccc(C4NC(c5ccccc5)NC(c5cc(-c6ccc7ccccc7c6)cc6oc7ccccc7c56)N4)cc3)cc2)cc1
InChIInChI=1S/C49H37N3O/c1-3-11-32(12-4-1)34-19-21-35(22-20-34)36-23-26-38(27-24-36)48-50-47(37-14-5-2-6-15-37)51-49(52-48)43-30-41(40-28-25-33-13-7-8-16-39(33)29-40)31-45-46(43)42-17-9-10-18-44(42)53-45/h1-31,47-52H
InChIKeyNKPOGSZDZOBDSG-UHFFFAOYSA-N
MW683.86 g/mol
LogP11.92
Rot. Bonds6

About 2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazinane

2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazinane (PubChem CID 167029965) has the molecular formula C49H37N3O and a molecular weight of 683.86 g/mol. Its IUPAC name is 2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazinane.

Molecular Properties

Compound Name2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazinane
PubChem CID167029965
Molecular FormulaC49H37N3O
Molecular Weight683.86 g/mol
Exact Mass683.29
IUPAC Name2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazinane
SMILESc1ccc(-c2ccc(-c3ccc(C4NC(c5ccccc5)NC(c5cc(-c6ccc7ccccc7c6)cc6oc7ccccc7c56)N4)cc3)cc2)cc1
InChIInChI=1S/C49H37N3O/c1-3-11-32(12-4-1)34-19-21-35(22-20-34)36-23-26-38(27-24-36)48-50-47(37-14-5-2-6-15-37)51-49(52-48)43-30-41(40-28-25-33-13-7-8-16-39(33)29-40)31-45-46(43)42-17-9-10-18-44(42)53-45/h1-31,47-52H
InChIKeyNKPOGSZDZOBDSG-UHFFFAOYSA-N
XLogP11.92
TPSA49.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.86
LogP ≤ 511.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazinane 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-dinaphthalen-2-yl-6-[3-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 163627856
4-(3-phenanthren-2-yldibenzofuran-1-yl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 167029899
4-dibenzofuran-1-yl-2-naphthalen-2-yl-6-phenyl-1,2,3,4-tetrahydropyrimidine
CID 90274181
2-(3-naphthalen-2-yldibenzofuran-1-yl)-4,6-diphenylpyrimidine
CID 167402692
4-[3-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 156553938
4-naphthalen-2-yl-2-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 174327608
2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-(3-phenylphenyl)-1,2-dihydro-[1]benzothiolo[3,2-d]pyrimidine
CID 170092163
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 167402174
2-(1-cyclohexa-2,4-dien-1-yldibenzofuran-3-yl)-4-phenanthren-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174259861
3-naphthalen-2-yldibenzofuran
CID 68932481
2-(3,5-diphenylphenyl)-4-(1-phenyldibenzofuran-3-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174259859
2-dibenzofuran-3-yl-4-(3-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166742821

Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazinane?
The IUPAC name of 2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazinane (CID 167029965) is 2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazinane.
What is the SMILES notation for 2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazinane?
The canonical SMILES for 2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazinane is c1ccc(-c2ccc(-c3ccc(C4NC(c5ccccc5)NC(c5cc(-c6ccc7ccccc7c6)cc6oc7ccccc7c56)N4)cc3)cc2)cc1.
What is the InChIKey of 2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazinane?
The InChIKey is NKPOGSZDZOBDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H37N3O/c1-3-11-32(12-4-1)34-19-21-35(22-20-34)36-23-26-38(27-24-36)48-50-47(37-14-5-2-6-15-37)51-49(52-48)43-30-41(40-28-25-33-13-7-8-16-39(33)29-40)31-45-46(43)42-17-9-10-18-44(42)53-45/h1-31,47-52H.
What are the key properties of 2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazinane?
2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazinane has a molecular weight of 683.86 g/mol, XLogP of 11.92, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazinane is sourced from PubChem (CID 167029965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).