2-(3-naphthalen-2-ylphenyl)-6-phenyl-4-(1-triphenylen-2-yl-7,8-dihydrodibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine

C55H37N3O — CID 163450490

IUPAC2-(3-naphthalen-2-ylphenyl)-6-phenyl-4-(1-triphenylen-2-yl-7,8-dihydrodibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
SMILESC1=c2oc3cc(C4N=C(c5ccccc5)NC(c5cccc(-c6ccc7ccccc7c6)c5)=N4)cc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3c2=CCC1
InChIInChI=1S/C55H37N3O/c1-2-14-35(15-3-1)53-56-54(40-18-12-17-37(30-40)38-26-25-34-13-4-5-16-36(34)29-38)58-55(57-53)41-32-48(52-47-23-10-11-24-50(47)59-51(52)33-41)39-27-28-46-44-21-7-6-19-42(44)43-20-8-9-22-45(43)49(46)31-39/h1-9,12-33,55H,10-11H2,(H,56,57,58)
InChIKeyBGDZXKFJYVBRBM-UHFFFAOYSA-N
MW755.92 g/mol
LogP12.23
Rot. Bonds5

About 2-(3-naphthalen-2-ylphenyl)-6-phenyl-4-(1-triphenylen-2-yl-7,8-dihydrodibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine

2-(3-naphthalen-2-ylphenyl)-6-phenyl-4-(1-triphenylen-2-yl-7,8-dihydrodibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine (PubChem CID 163450490) has the molecular formula C55H37N3O and a molecular weight of 755.92 g/mol. Its IUPAC name is 2-(3-naphthalen-2-ylphenyl)-6-phenyl-4-(1-triphenylen-2-yl-7,8-dihydrodibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-naphthalen-2-ylphenyl)-6-phenyl-4-(1-triphenylen-2-yl-7,8-dihydrodibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
PubChem CID163450490
Molecular FormulaC55H37N3O
Molecular Weight755.92 g/mol
Exact Mass755.29
IUPAC Name2-(3-naphthalen-2-ylphenyl)-6-phenyl-4-(1-triphenylen-2-yl-7,8-dihydrodibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
SMILESC1=c2oc3cc(C4N=C(c5ccccc5)NC(c5cccc(-c6ccc7ccccc7c6)c5)=N4)cc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3c2=CCC1
InChIInChI=1S/C55H37N3O/c1-2-14-35(15-3-1)53-56-54(40-18-12-17-37(30-40)38-26-25-34-13-4-5-16-36(34)29-38)58-55(57-53)41-32-48(52-47-23-10-11-24-50(47)59-51(52)33-41)39-27-28-46-44-21-7-6-19-42(44)43-20-8-9-22-45(43)49(46)31-39/h1-9,12-33,55H,10-11H2,(H,56,57,58)
InChIKeyBGDZXKFJYVBRBM-UHFFFAOYSA-N
XLogP12.23
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.92
LogP ≤ 512.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-(1-naphthalen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 167402276
4-dibenzofuran-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170249185
2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 170290357
4-[2-[3-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)phenyl]-7,8-dihydrodibenzofuran-3-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 146246403
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 170179928
2-naphthalen-2-yl-6-phenanthren-3-yl-4-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030224
(4S)-4-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 142343037
2-dibenzofuran-3-yl-6-phenyl-4-(7-triphenylen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 166961195
2-naphtho[2,1-b][1]benzofuran-9-yl-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 156549192
4-[3-[3-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 134299619
4-(7-naphthalen-2-yldibenzofuran-1-yl)-2-phenanthren-9-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167029303
4-dibenzofuran-2-yl-2-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170293740

Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-2-ylphenyl)-6-phenyl-4-(1-triphenylen-2-yl-7,8-dihydrodibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2-(3-naphthalen-2-ylphenyl)-6-phenyl-4-(1-triphenylen-2-yl-7,8-dihydrodibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine (CID 163450490) is 2-(3-naphthalen-2-ylphenyl)-6-phenyl-4-(1-triphenylen-2-yl-7,8-dihydrodibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-(3-naphthalen-2-ylphenyl)-6-phenyl-4-(1-triphenylen-2-yl-7,8-dihydrodibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2-(3-naphthalen-2-ylphenyl)-6-phenyl-4-(1-triphenylen-2-yl-7,8-dihydrodibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine is C1=c2oc3cc(C4N=C(c5ccccc5)NC(c5cccc(-c6ccc7ccccc7c6)c5)=N4)cc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3c2=CCC1.
What is the InChIKey of 2-(3-naphthalen-2-ylphenyl)-6-phenyl-4-(1-triphenylen-2-yl-7,8-dihydrodibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine?
The InChIKey is BGDZXKFJYVBRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N3O/c1-2-14-35(15-3-1)53-56-54(40-18-12-17-37(30-40)38-26-25-34-13-4-5-16-36(34)29-38)58-55(57-53)41-32-48(52-47-23-10-11-24-50(47)59-51(52)33-41)39-27-28-46-44-21-7-6-19-42(44)43-20-8-9-22-45(43)49(46)31-39/h1-9,12-33,55H,10-11H2,(H,56,57,58).
What are the key properties of 2-(3-naphthalen-2-ylphenyl)-6-phenyl-4-(1-triphenylen-2-yl-7,8-dihydrodibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine?
2-(3-naphthalen-2-ylphenyl)-6-phenyl-4-(1-triphenylen-2-yl-7,8-dihydrodibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine has a molecular weight of 755.92 g/mol, XLogP of 12.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-naphthalen-2-ylphenyl)-6-phenyl-4-(1-triphenylen-2-yl-7,8-dihydrodibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 163450490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).