9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzoxazole

C48H28N4O2 — CID 176764361

IUPAC9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzoxazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc(-c4cccc5ccc6nc(-c7ccccc7)oc6c45)c4ccccc34)n2)cc1
InChIInChI=1S/C48H28N4O2/c1-3-12-30(13-4-1)45-50-46(32-22-24-37-36-19-9-10-21-41(36)53-42(37)28-32)52-47(51-45)39-26-25-35(33-17-7-8-18-34(33)39)38-20-11-16-29-23-27-40-44(43(29)38)54-48(49-40)31-14-5-2-6-15-31/h1-28H
InChIKeyIDKKOFQNUCRPFS-UHFFFAOYSA-N
MW692.78 g/mol
LogP12.55
Rot. Bonds5

About 9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzoxazole

9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzoxazole (PubChem CID 176764361) has the molecular formula C48H28N4O2 and a molecular weight of 692.78 g/mol. Its IUPAC name is 9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzoxazole.

Molecular Properties

Compound Name9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzoxazole
PubChem CID176764361
Molecular FormulaC48H28N4O2
Molecular Weight692.78 g/mol
Exact Mass692.22
IUPAC Name9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzoxazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc(-c4cccc5ccc6nc(-c7ccccc7)oc6c45)c4ccccc34)n2)cc1
InChIInChI=1S/C48H28N4O2/c1-3-12-30(13-4-1)45-50-46(32-22-24-37-36-19-9-10-21-41(36)53-42(37)28-32)52-47(51-45)39-26-25-35(33-17-7-8-18-34(33)39)38-20-11-16-29-23-27-40-44(43(29)38)54-48(49-40)31-14-5-2-6-15-31/h1-28H
InChIKeyIDKKOFQNUCRPFS-UHFFFAOYSA-N
XLogP12.55
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.78
LogP ≤ 512.55
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
2-phenyl-9-[4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[g][1,3]benzoxazole
CID 176764438
9-[4-[4-naphthalen-2-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764425
9-[4-[4-(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764267
2-phenyl-9-[2-[4-(4-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzo[g][1,3]benzoxazole
CID 176764427
13-(4-dibenzofuran-3-yl-6-naphthalen-1-yl-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 177086383
17-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaene
CID 176631536
17-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaene
CID 176631320
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-(3,4-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764505
9-[2-(4-naphthalen-1-yl-6-phenanthren-3-yl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764233
19-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaene
CID 176631586

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzoxazole?
The IUPAC name of 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) is 9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzoxazole.
What is the SMILES notation for 9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzoxazole?
The canonical SMILES for 9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzoxazole is c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc(-c4cccc5ccc6nc(-c7ccccc7)oc6c45)c4ccccc34)n2)cc1.
What is the InChIKey of 9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzoxazole?
The InChIKey is IDKKOFQNUCRPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N4O2/c1-3-12-30(13-4-1)45-50-46(32-22-24-37-36-19-9-10-21-41(36)53-42(37)28-32)52-47(51-45)39-26-25-35(33-17-7-8-18-34(33)39)38-20-11-16-29-23-27-40-44(43(29)38)54-48(49-40)31-14-5-2-6-15-31/h1-28H.
What are the key properties of 9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzoxazole?
9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzoxazole has a molecular weight of 692.78 g/mol, XLogP of 12.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzoxazole is sourced from PubChem (CID 176764361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).