2-phenyl-9-[4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[g][1,3]benzoxazole

C44H26N4O2 — CID 176764438

IUPAC2-phenyl-9-[4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[g][1,3]benzoxazole
SMILESc1ccc(-c2ccc3oc4cc(-c5nc(-c6ccccc6)nc(-c6cccc7ccc8nc(-c9ccccc9)oc8c67)n5)ccc4c3c2)cc1
InChIInChI=1S/C44H26N4O2/c1-4-11-27(12-5-1)31-21-24-37-35(25-31)33-22-19-32(26-38(33)49-37)42-46-41(29-13-6-2-7-14-29)47-43(48-42)34-18-10-17-28-20-23-36-40(39(28)34)50-44(45-36)30-15-8-3-9-16-30/h1-26H
InChIKeyWWFLAXOMGIKESJ-UHFFFAOYSA-N
MW642.72 g/mol
LogP11.40
Rot. Bonds5

About 2-phenyl-9-[4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[g][1,3]benzoxazole

2-phenyl-9-[4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[g][1,3]benzoxazole (PubChem CID 176764438) has the molecular formula C44H26N4O2 and a molecular weight of 642.72 g/mol. Its IUPAC name is 2-phenyl-9-[4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[g][1,3]benzoxazole.

Molecular Properties

Compound Name2-phenyl-9-[4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[g][1,3]benzoxazole
PubChem CID176764438
Molecular FormulaC44H26N4O2
Molecular Weight642.72 g/mol
Exact Mass642.21
IUPAC Name2-phenyl-9-[4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[g][1,3]benzoxazole
SMILESc1ccc(-c2ccc3oc4cc(-c5nc(-c6ccccc6)nc(-c6cccc7ccc8nc(-c9ccccc9)oc8c67)n5)ccc4c3c2)cc1
InChIInChI=1S/C44H26N4O2/c1-4-11-27(12-5-1)31-21-24-37-35(25-31)33-22-19-32(26-38(33)49-37)42-46-41(29-13-6-2-7-14-29)47-43(48-42)34-18-10-17-28-20-23-36-40(39(28)34)50-44(45-36)30-15-8-3-9-16-30/h1-26H
InChIKeyWWFLAXOMGIKESJ-UHFFFAOYSA-N
XLogP11.40
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.72
LogP ≤ 511.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[4-(3-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764260
9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764361
2-phenyl-9-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[g][1,3]benzoxazole
CID 176764298
9-[4-naphthalen-2-yl-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764455
17-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-4,14-dioxa-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15(20),16,18-nonaene
CID 176647114
18-[4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene
CID 177085851
13-[4-(3-dibenzofuran-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene
CID 177086194
9-[4-(3,4-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764505
9-[4-[4-(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764267
9-[8-[4-naphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764556
2,4-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 156522936
2-phenyl-9-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[g][1,3]benzoxazole
CID 176764392

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-9-[4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[g][1,3]benzoxazole?
The IUPAC name of 2-phenyl-9-[4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[g][1,3]benzoxazole (CID 176764438) is 2-phenyl-9-[4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[g][1,3]benzoxazole.
What is the SMILES notation for 2-phenyl-9-[4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[g][1,3]benzoxazole?
The canonical SMILES for 2-phenyl-9-[4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[g][1,3]benzoxazole is c1ccc(-c2ccc3oc4cc(-c5nc(-c6ccccc6)nc(-c6cccc7ccc8nc(-c9ccccc9)oc8c67)n5)ccc4c3c2)cc1.
What is the InChIKey of 2-phenyl-9-[4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[g][1,3]benzoxazole?
The InChIKey is WWFLAXOMGIKESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4O2/c1-4-11-27(12-5-1)31-21-24-37-35(25-31)33-22-19-32(26-38(33)49-37)42-46-41(29-13-6-2-7-14-29)47-43(48-42)34-18-10-17-28-20-23-36-40(39(28)34)50-44(45-36)30-15-8-3-9-16-30/h1-26H.
What are the key properties of 2-phenyl-9-[4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[g][1,3]benzoxazole?
2-phenyl-9-[4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[g][1,3]benzoxazole has a molecular weight of 642.72 g/mol, XLogP of 11.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-9-[4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[g][1,3]benzoxazole is sourced from PubChem (CID 176764438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).