2-(4-naphthalen-1-ylphenyl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine

C53H31N3O2 — CID 174198592

IUPAC2-(4-naphthalen-1-ylphenyl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3c(c2)oc2cccc(-c4nc(-c5ccc(-c6cccc7ccccc67)cc5)nc(-c5ccc6cc7c(cc6c5)oc5ccccc57)n4)c23)cc1
InChIInChI=1S/C53H31N3O2/c1-2-10-32(11-3-1)37-26-27-43-48(30-37)58-47-19-9-17-44(50(43)47)53-55-51(35-22-20-34(21-23-35)41-16-8-13-33-12-4-5-14-40(33)41)54-52(56-53)38-25-24-36-29-45-42-15-6-7-18-46(42)57-49(45)31-39(36)28-38/h1-31H
InChIKeyGXKOCFREDGBUQP-UHFFFAOYSA-N
MW741.85 g/mol
LogP14.31
Rot. Bonds5

About 2-(4-naphthalen-1-ylphenyl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine

2-(4-naphthalen-1-ylphenyl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine (PubChem CID 174198592) has the molecular formula C53H31N3O2 and a molecular weight of 741.85 g/mol. Its IUPAC name is 2-(4-naphthalen-1-ylphenyl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-naphthalen-1-ylphenyl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine
PubChem CID174198592
Molecular FormulaC53H31N3O2
Molecular Weight741.85 g/mol
Exact Mass741.24
IUPAC Name2-(4-naphthalen-1-ylphenyl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3c(c2)oc2cccc(-c4nc(-c5ccc(-c6cccc7ccccc67)cc5)nc(-c5ccc6cc7c(cc6c5)oc5ccccc57)n4)c23)cc1
InChIInChI=1S/C53H31N3O2/c1-2-10-32(11-3-1)37-26-27-43-48(30-37)58-47-19-9-17-44(50(43)47)53-55-51(35-22-20-34(21-23-35)41-16-8-13-33-12-4-5-14-40(33)41)54-52(56-53)38-25-24-36-29-45-42-15-6-7-18-46(42)57-49(45)31-39(36)28-38/h1-31H
InChIKeyGXKOCFREDGBUQP-UHFFFAOYSA-N
XLogP14.31
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.85
LogP ≤ 514.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-naphthalen-1-ylphenyl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174208954
2-(9-naphtho[2,3-b][1]benzofuran-3-ylnaphtho[2,3-b][1]benzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 174316497
2-dibenzofuran-1-yl-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174198496
2-dibenzofuran-1-yl-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 163727437
2-naphtho[3,2-b][1]benzofuran-8-yl-4-phenanthren-9-yl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 174198668
2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-phenanthren-2-yl-1,3,5-triazine
CID 174198624
2-(4-naphthalen-2-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 163570291
2-naphthalen-1-yl-4-[9-(4-naphthalen-2-ylphenyl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
CID 164798033
2-(7-dibenzofuran-2-yldibenzofuran-1-yl)-4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 166742269
2-dibenzofuran-1-yl-4-phenyl-6-[4-(6-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 171607685
2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 166743599
2-(9-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 174316221

Frequently Asked Questions

What is the IUPAC name of 2-(4-naphthalen-1-ylphenyl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine?
The IUPAC name of 2-(4-naphthalen-1-ylphenyl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine (CID 174198592) is 2-(4-naphthalen-1-ylphenyl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(4-naphthalen-1-ylphenyl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-(4-naphthalen-1-ylphenyl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine is c1ccc(-c2ccc3c(c2)oc2cccc(-c4nc(-c5ccc(-c6cccc7ccccc67)cc5)nc(-c5ccc6cc7c(cc6c5)oc5ccccc57)n4)c23)cc1.
What is the InChIKey of 2-(4-naphthalen-1-ylphenyl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine?
The InChIKey is GXKOCFREDGBUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H31N3O2/c1-2-10-32(11-3-1)37-26-27-43-48(30-37)58-47-19-9-17-44(50(43)47)53-55-51(35-22-20-34(21-23-35)41-16-8-13-33-12-4-5-14-40(33)41)54-52(56-53)38-25-24-36-29-45-42-15-6-7-18-46(42)57-49(45)31-39(36)28-38/h1-31H.
What are the key properties of 2-(4-naphthalen-1-ylphenyl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine?
2-(4-naphthalen-1-ylphenyl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine has a molecular weight of 741.85 g/mol, XLogP of 14.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-naphthalen-1-ylphenyl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine is sourced from PubChem (CID 174198592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).