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

C53H35N3O — CID 156553943

IUPAC4-(4-naphthalen-2-ylphenyl)-2-phenyl-6-[3-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3cc(C4=NC(c5ccc(-c6ccc7ccccc7c6)cc5)=NC(c5ccccc5)N4)c4c(c3)oc3cc5ccccc5cc34)c2)cc1
InChIInChI=1S/C53H35N3O/c1-3-12-34(13-4-1)40-20-11-21-41(28-40)45-31-47(50-46-30-42-18-9-10-19-43(42)32-48(46)57-49(50)33-45)53-55-51(37-15-5-2-6-16-37)54-52(56-53)38-25-22-36(23-26-38)44-27-24-35-14-7-8-17-39(35)29-44/h1-33,51H,(H,54,55,56)
InChIKeyXHIQAZYMHAWNQW-UHFFFAOYSA-N
MW729.88 g/mol
LogP13.39
Rot. Bonds6

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

4-(4-naphthalen-2-ylphenyl)-2-phenyl-6-[3-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,2-dihydro-1,3,5-triazine (PubChem CID 156553943) has the molecular formula C53H35N3O and a molecular weight of 729.88 g/mol. Its IUPAC name is 4-(4-naphthalen-2-ylphenyl)-2-phenyl-6-[3-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-(4-naphthalen-2-ylphenyl)-2-phenyl-6-[3-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
PubChem CID156553943
Molecular FormulaC53H35N3O
Molecular Weight729.88 g/mol
Exact Mass729.28
IUPAC Name4-(4-naphthalen-2-ylphenyl)-2-phenyl-6-[3-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3cc(C4=NC(c5ccc(-c6ccc7ccccc7c6)cc5)=NC(c5ccccc5)N4)c4c(c3)oc3cc5ccccc5cc34)c2)cc1
InChIInChI=1S/C53H35N3O/c1-3-12-34(13-4-1)40-20-11-21-41(28-40)45-31-47(50-46-30-42-18-9-10-19-43(42)32-48(46)57-49(50)33-45)53-55-51(37-15-5-2-6-16-37)54-52(56-53)38-25-22-36(23-26-38)44-27-24-35-14-7-8-17-39(35)29-44/h1-33,51H,(H,54,55,56)
InChIKeyXHIQAZYMHAWNQW-UHFFFAOYSA-N
XLogP13.39
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.88
LogP ≤ 513.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 166867441
6-[8-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 137285203
6-(3-dibenzofuran-2-yldibenzofuran-1-yl)-2-naphthalen-2-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 167007408
12-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-15-naphthalen-2-yl-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 166799978
2,4-dinaphthalen-2-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 163752446
2,4-diphenyl-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 166961451
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-[3-(8-phenyldibenzofuran-1-yl)phenyl]-1,2-dihydro-1,3,5-triazine
CID 167030113
2,4-diphenyl-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 166961389
2-phenyl-6-(3-phenylphenyl)-4-[2-[8-(3-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine
CID 167029717
5-[3-(6-naphthalen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole
CID 155037880
12-[1-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 166700730
6-(9-naphthalen-2-yldibenzofuran-1-yl)-4-phenanthren-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 167029850

Frequently Asked Questions

What is the IUPAC name of 4-(4-naphthalen-2-ylphenyl)-2-phenyl-6-[3-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 4-(4-naphthalen-2-ylphenyl)-2-phenyl-6-[3-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,2-dihydro-1,3,5-triazine (CID 156553943) is 4-(4-naphthalen-2-ylphenyl)-2-phenyl-6-[3-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-(4-naphthalen-2-ylphenyl)-2-phenyl-6-[3-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 4-(4-naphthalen-2-ylphenyl)-2-phenyl-6-[3-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,2-dihydro-1,3,5-triazine is c1ccc(-c2cccc(-c3cc(C4=NC(c5ccc(-c6ccc7ccccc7c6)cc5)=NC(c5ccccc5)N4)c4c(c3)oc3cc5ccccc5cc34)c2)cc1.
What is the InChIKey of 4-(4-naphthalen-2-ylphenyl)-2-phenyl-6-[3-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,2-dihydro-1,3,5-triazine?
The InChIKey is XHIQAZYMHAWNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N3O/c1-3-12-34(13-4-1)40-20-11-21-41(28-40)45-31-47(50-46-30-42-18-9-10-19-43(42)32-48(46)57-49(50)33-45)53-55-51(37-15-5-2-6-16-37)54-52(56-53)38-25-22-36(23-26-38)44-27-24-35-14-7-8-17-39(35)29-44/h1-33,51H,(H,54,55,56).
What are the key properties of 4-(4-naphthalen-2-ylphenyl)-2-phenyl-6-[3-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,2-dihydro-1,3,5-triazine?
4-(4-naphthalen-2-ylphenyl)-2-phenyl-6-[3-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,2-dihydro-1,3,5-triazine has a molecular weight of 729.88 g/mol, XLogP of 13.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-naphthalen-2-ylphenyl)-2-phenyl-6-[3-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 156553943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).