2-(3-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine

C51H31N3O — CID 164951936

IUPAC2-(3-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5ccccc45)cc3)nc(-c3cc(-c4cccc5ccccc45)cc4oc5cc6ccccc6cc5c34)n2)cc1
InChIInChI=1S/C51H31N3O/c1-2-14-35(15-3-1)49-52-50(36-26-24-34(25-27-36)42-22-10-18-32-12-6-8-20-40(32)42)54-51(53-49)45-29-39(43-23-11-19-33-13-7-9-21-41(33)43)31-47-48(45)44-28-37-16-4-5-17-38(37)30-46(44)55-47/h1-31H
InChIKeyYIRDHPVYVFOSHU-UHFFFAOYSA-N
MW701.83 g/mol
LogP13.57
Rot. Bonds5

About 2-(3-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine

2-(3-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine (PubChem CID 164951936) has the molecular formula C51H31N3O and a molecular weight of 701.83 g/mol. Its IUPAC name is 2-(3-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
PubChem CID164951936
Molecular FormulaC51H31N3O
Molecular Weight701.83 g/mol
Exact Mass701.25
IUPAC Name2-(3-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5ccccc45)cc3)nc(-c3cc(-c4cccc5ccccc45)cc4oc5cc6ccccc6cc5c34)n2)cc1
InChIInChI=1S/C51H31N3O/c1-2-14-35(15-3-1)49-52-50(36-26-24-34(25-27-36)42-22-10-18-32-12-6-8-20-40(32)42)54-51(53-49)45-29-39(43-23-11-19-33-13-7-9-21-41(33)43)31-47-48(45)44-28-37-16-4-5-17-38(37)30-46(44)55-47/h1-31H
InChIKeyYIRDHPVYVFOSHU-UHFFFAOYSA-N
XLogP13.57
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.83
LogP ≤ 513.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-naphthalen-1-ylphenyl)-4-phenyl-6-[3-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine
CID 171757190
2-(3-naphthalen-1-ylphenyl)-4-phenyl-6-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine
CID 171757229
2,4-dinaphthalen-1-yl-6-(3-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine;2-naphthalen-1-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-(3-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 165088234
2-naphthalen-2-yl-4-phenyl-6-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)naphthalen-1-yl]-1,3,5-triazine
CID 167402160
2-[4-(3-naphthalen-1-yldibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 177112661
2-(5-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine
CID 168731826
2-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742796
2,4-diphenyl-6-[1-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-yl]-1,3,5-triazine
CID 171757250
2-naphthalen-2-yl-4-(8-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 174316506
2-(4-naphthalen-1-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazine
CID 163416881
2-[4-[1-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 169294627
2-(4-naphthalen-1-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-1-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-1-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-1-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-4-yl-6-phenyl-1,3,5-triazine
CID 163416879

Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(3-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine (CID 164951936) is 2-(3-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(3-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(3-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(-c4cccc5ccccc45)cc3)nc(-c3cc(-c4cccc5ccccc45)cc4oc5cc6ccccc6cc5c34)n2)cc1.
What is the InChIKey of 2-(3-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine?
The InChIKey is YIRDHPVYVFOSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3O/c1-2-14-35(15-3-1)49-52-50(36-26-24-34(25-27-36)42-22-10-18-32-12-6-8-20-40(32)42)54-51(53-49)45-29-39(43-23-11-19-33-13-7-9-21-41(33)43)31-47-48(45)44-28-37-16-4-5-17-38(37)30-46(44)55-47/h1-31H.
What are the key properties of 2-(3-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine?
2-(3-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine has a molecular weight of 701.83 g/mol, XLogP of 13.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 164951936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).