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

C53H33N3O — CID 176853688

IUPAC2-phenyl-4-[4-(2-phenylnaphtho[1,2-b][1]benzofuran-6-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cc6ccc(-c7ccccc7)cc6c6oc7ccccc7c56)c5ccccc45)n3)cc2)cc1
InChIInChI=1S/C53H33N3O/c1-4-14-34(15-5-1)36-24-26-38(27-25-36)52-54-51(37-18-8-3-9-19-37)55-53(56-52)44-31-30-43(41-20-10-11-21-42(41)44)47-33-40-29-28-39(35-16-6-2-7-17-35)32-46(40)50-49(47)45-22-12-13-23-48(45)57-50/h1-33H
InChIKeyTZFGIWVVDPPNLX-UHFFFAOYSA-N
MW727.87 g/mol
LogP14.08
Rot. Bonds6

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

2-phenyl-4-[4-(2-phenylnaphtho[1,2-b][1]benzofuran-6-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 176853688) has the molecular formula C53H33N3O and a molecular weight of 727.87 g/mol. Its IUPAC name is 2-phenyl-4-[4-(2-phenylnaphtho[1,2-b][1]benzofuran-6-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-[4-(2-phenylnaphtho[1,2-b][1]benzofuran-6-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID176853688
Molecular FormulaC53H33N3O
Molecular Weight727.87 g/mol
Exact Mass727.26
IUPAC Name2-phenyl-4-[4-(2-phenylnaphtho[1,2-b][1]benzofuran-6-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cc6ccc(-c7ccccc7)cc6c6oc7ccccc7c56)c5ccccc45)n3)cc2)cc1
InChIInChI=1S/C53H33N3O/c1-4-14-34(15-5-1)36-24-26-38(27-25-36)52-54-51(37-18-8-3-9-19-37)55-53(56-52)44-31-30-43(41-20-10-11-21-42(41)44)47-33-40-29-28-39(35-16-6-2-7-17-35)32-46(40)50-49(47)45-22-12-13-23-48(45)57-50/h1-33H
InChIKeyTZFGIWVVDPPNLX-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-naphthalen-2-yl-4-(2-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176853968
2-phenyl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176853446
2,4-diphenyl-6-[4-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142491264
2-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741767
2-[4-(3,5-diphenylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[4-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 161320517
2-phenyl-4,6-bis(9-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
CID 176775616
2-dibenzofuran-2-yl-4-phenyl-6-[4-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166742723
2-naphthalen-2-yl-4-phenyl-6-[4-(1-phenylnaphtho[1,2-b][1]benzofuran-6-yl)naphthalen-1-yl]-1,3,5-triazine
CID 174326022
2-(4-naphtho[2,1-b][1]benzofuran-6-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 158469759
2-naphthalen-2-yl-4-(4-naphthalen-2-yldibenzofuran-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 166742221
2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-dibenzofuran-2-ylphenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(1-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 167614142
2-naphthalen-2-yl-4-(4-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 163627854

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[4-(2-phenylnaphtho[1,2-b][1]benzofuran-6-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-[4-(2-phenylnaphtho[1,2-b][1]benzofuran-6-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine (CID 176853688) is 2-phenyl-4-[4-(2-phenylnaphtho[1,2-b][1]benzofuran-6-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-[4-(2-phenylnaphtho[1,2-b][1]benzofuran-6-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-[4-(2-phenylnaphtho[1,2-b][1]benzofuran-6-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cc6ccc(-c7ccccc7)cc6c6oc7ccccc7c56)c5ccccc45)n3)cc2)cc1.
What is the InChIKey of 2-phenyl-4-[4-(2-phenylnaphtho[1,2-b][1]benzofuran-6-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is TZFGIWVVDPPNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3O/c1-4-14-34(15-5-1)36-24-26-38(27-25-36)52-54-51(37-18-8-3-9-19-37)55-53(56-52)44-31-30-43(41-20-10-11-21-42(41)44)47-33-40-29-28-39(35-16-6-2-7-17-35)32-46(40)50-49(47)45-22-12-13-23-48(45)57-50/h1-33H.
What are the key properties of 2-phenyl-4-[4-(2-phenylnaphtho[1,2-b][1]benzofuran-6-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
2-phenyl-4-[4-(2-phenylnaphtho[1,2-b][1]benzofuran-6-yl)naphthalen-1-yl]-6-(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-phenyl-4-[4-(2-phenylnaphtho[1,2-b][1]benzofuran-6-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 176853688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).