2-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine

C53H33N3O — CID 176817731

IUPAC2-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5oc6c7ccccc7c(-c7ccc8ccccc8c7)cc6c5c4)n3)cc2)cc1
InChIInChI=1S/C53H33N3O/c1-3-11-34(12-4-1)37-19-24-39(25-20-37)51-54-52(40-26-21-38(22-27-40)35-13-5-2-6-14-35)56-53(55-51)43-29-30-49-47(32-43)48-33-46(44-17-9-10-18-45(44)50(48)57-49)42-28-23-36-15-7-8-16-41(36)31-42/h1-33H
InChIKeyQHCSFKYZJYGUEA-UHFFFAOYSA-N
MW727.87 g/mol
LogP14.08
Rot. Bonds6

About 2-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine

2-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine (PubChem CID 176817731) has the molecular formula C53H33N3O and a molecular weight of 727.87 g/mol. Its IUPAC name is 2-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
PubChem CID176817731
Molecular FormulaC53H33N3O
Molecular Weight727.87 g/mol
Exact Mass727.26
IUPAC Name2-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5oc6c7ccccc7c(-c7ccc8ccccc8c7)cc6c5c4)n3)cc2)cc1
InChIInChI=1S/C53H33N3O/c1-3-11-34(12-4-1)37-19-24-39(25-20-37)51-54-52(40-26-21-38(22-27-40)35-13-5-2-6-14-35)56-53(55-51)43-29-30-49-47(32-43)48-33-46(44-17-9-10-18-45(44)50(48)57-49)42-28-23-36-15-7-8-16-41(36)31-42/h1-33H
InChIKeyQHCSFKYZJYGUEA-UHFFFAOYSA-N
XLogP14.08
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.87
LogP ≤ 514.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine
CID 167143677
2-[4-[3-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164834936
2-(8-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 176818440
2-naphthalen-2-yl-4-phenyl-6-[4-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine
CID 176853796
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)-1,3,5-triazine
CID 167402325
2-[4-[4-(8-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164835026
2,4-diphenyl-6-[3-[8-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-1,3,5-triazine
CID 164835332
2-[5-[4-(4-isocyanophenyl)phenyl]naphtho[1,2-b][1]benzofuran-8-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 176817809
2-naphthalen-2-yl-3-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)quinoxaline
CID 176817614
2-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)-3-phenylquinoxaline
CID 176817926
2-dibenzofuran-3-yl-4-phenyl-6-[4-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine
CID 176817775
2-(3-dibenzofuran-2-ylnaphthalen-2-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 172545376

Frequently Asked Questions

What is the IUPAC name of 2-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine (CID 176817731) is 2-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5oc6c7ccccc7c(-c7ccc8ccccc8c7)cc6c5c4)n3)cc2)cc1.
What is the InChIKey of 2-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is QHCSFKYZJYGUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3O/c1-3-11-34(12-4-1)37-19-24-39(25-20-37)51-54-52(40-26-21-38(22-27-40)35-13-5-2-6-14-35)56-53(55-51)43-29-30-49-47(32-43)48-33-46(44-17-9-10-18-45(44)50(48)57-49)42-28-23-36-15-7-8-16-41(36)31-42/h1-33H.
What are the key properties of 2-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
2-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 727.87 g/mol, XLogP of 14.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 176817731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).