8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylbenzo[g][1,3]benzoxazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylbenzo[g][1,3]benzoxazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylbenzo[g][1,3]benzoxazole

C107H65N13O3 — CID 158655518

IUPAC8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylbenzo[g][1,3]benzoxazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylbenzo[g][1,3]benzoxazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylbenzo[g][1,3]benzoxazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc5nc(-c6cc7ccccc7c7ccccc67)oc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc5nc(-c6cccc7ccccc67)oc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc5nc(-c6ccccn6)oc5c4c3)n2)cc1
InChIInChI=1S/C40H24N4O.C36H22N4O.C31H19N5O/c1-3-11-26(12-4-1)37-42-38(27-13-5-2-6-14-27)44-39(43-37)29-20-19-25-21-22-35-36(33(25)24-29)45-40(41-35)34-23-28-15-7-8-16-30(28)31-17-9-10-18-32(31)34;1-3-11-25(12-4-1)33-38-34(26-13-5-2-6-14-26)40-35(39-33)27-19-18-24-20-21-31-32(30(24)22-27)41-36(37-31)29-17-9-15-23-10-7-8-16-28(23)29;1-3-9-21(10-4-1)28-34-29(22-11-5-2-6-12-22)36-30(35-28)23-15-14-20-16-17-25-27(24(20)19-23)37-31(33-25)26-13-7-8-18-32-26/h1-24H;1-22H;1-19H
InChIKeyICBVNIAGKXUYIH-UHFFFAOYSA-N
MW1580.78 g/mol
LogP26.36
Rot. Bonds12

About 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylbenzo[g][1,3]benzoxazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylbenzo[g][1,3]benzoxazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylbenzo[g][1,3]benzoxazole

8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylbenzo[g][1,3]benzoxazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylbenzo[g][1,3]benzoxazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylbenzo[g][1,3]benzoxazole (PubChem CID 158655518) has the molecular formula C107H65N13O3 and a molecular weight of 1580.78 g/mol. Its IUPAC name is 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylbenzo[g][1,3]benzoxazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylbenzo[g][1,3]benzoxazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylbenzo[g][1,3]benzoxazole.

Molecular Properties

Compound Name8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylbenzo[g][1,3]benzoxazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylbenzo[g][1,3]benzoxazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylbenzo[g][1,3]benzoxazole
PubChem CID158655518
Molecular FormulaC107H65N13O3
Molecular Weight1580.78 g/mol
Exact Mass1579.53
IUPAC Name8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylbenzo[g][1,3]benzoxazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylbenzo[g][1,3]benzoxazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylbenzo[g][1,3]benzoxazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc5nc(-c6cc7ccccc7c7ccccc67)oc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc5nc(-c6cccc7ccccc67)oc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc5nc(-c6ccccn6)oc5c4c3)n2)cc1
InChIInChI=1S/C40H24N4O.C36H22N4O.C31H19N5O/c1-3-11-26(12-4-1)37-42-38(27-13-5-2-6-14-27)44-39(43-37)29-20-19-25-21-22-35-36(33(25)24-29)45-40(41-35)34-23-28-15-7-8-16-30(28)31-17-9-10-18-32(31)34;1-3-11-25(12-4-1)33-38-34(26-13-5-2-6-14-26)40-35(39-33)27-19-18-24-20-21-31-32(30(24)22-27)41-36(37-31)29-17-9-15-23-10-7-8-16-28(23)29;1-3-9-21(10-4-1)28-34-29(22-11-5-2-6-12-22)36-30(35-28)23-15-14-20-16-17-25-27(24(20)19-23)37-31(33-25)26-13-7-8-18-32-26/h1-24H;1-22H;1-19H
InChIKeyICBVNIAGKXUYIH-UHFFFAOYSA-N
XLogP26.36
TPSA206.99 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001580.78
LogP ≤ 526.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylbenzo[g][1,3]benzoxazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylbenzo[g][1,3]benzoxazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylbenzo[g][1,3]benzoxazole with MolForge

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Related Compounds

8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylbenzo[g][1,3]benzoxazole
CID 138633683
8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-ylbenzo[e][1,3]benzoxazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylbenzo[e][1,3]benzoxazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylbenzo[e][1,3]benzoxazole
CID 159089274
5-naphthalen-1-yl-18-(4-phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)-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 177085818
2-dibenzothiophen-4-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[g][1,3]benzoxazole
CID 138633567
22-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 162207589
10-(3-benzo[c]phenanthren-5-ylphenyl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole
CID 153302163
18-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-yl-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 177086146
2-phenyl-9-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[g][1,3]benzoxazole
CID 176764298
8-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzoxazole
CID 138633638
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
2-(4-naphthalen-1-ylphenyl)-4-[3-(4-naphthalen-1-yl-3-pyridin-2-ylphenyl)phenyl]-6-phenanthren-9-yl-1,3,5-triazine
CID 171439465
9-[4-[4-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764262

Frequently Asked Questions

What is the IUPAC name of 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylbenzo[g][1,3]benzoxazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylbenzo[g][1,3]benzoxazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylbenzo[g][1,3]benzoxazole?
The IUPAC name of 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylbenzo[g][1,3]benzoxazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylbenzo[g][1,3]benzoxazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylbenzo[g][1,3]benzoxazole (CID 158655518) is 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylbenzo[g][1,3]benzoxazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylbenzo[g][1,3]benzoxazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylbenzo[g][1,3]benzoxazole.
What is the SMILES notation for 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylbenzo[g][1,3]benzoxazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylbenzo[g][1,3]benzoxazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylbenzo[g][1,3]benzoxazole?
The canonical SMILES for 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylbenzo[g][1,3]benzoxazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylbenzo[g][1,3]benzoxazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylbenzo[g][1,3]benzoxazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc5nc(-c6cc7ccccc7c7ccccc67)oc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc5nc(-c6cccc7ccccc67)oc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc5nc(-c6ccccn6)oc5c4c3)n2)cc1.
What is the InChIKey of 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylbenzo[g][1,3]benzoxazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylbenzo[g][1,3]benzoxazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylbenzo[g][1,3]benzoxazole?
The InChIKey is ICBVNIAGKXUYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N4O.C36H22N4O.C31H19N5O/c1-3-11-26(12-4-1)37-42-38(27-13-5-2-6-14-27)44-39(43-37)29-20-19-25-21-22-35-36(33(25)24-29)45-40(41-35)34-23-28-15-7-8-16-30(28)31-17-9-10-18-32(31)34;1-3-11-25(12-4-1)33-38-34(26-13-5-2-6-14-26)40-35(39-33)27-19-18-24-20-21-31-32(30(24)22-27)41-36(37-31)29-17-9-15-23-10-7-8-16-28(23)29;1-3-9-21(10-4-1)28-34-29(22-11-5-2-6-12-22)36-30(35-28)23-15-14-20-16-17-25-27(24(20)19-23)37-31(33-25)26-13-7-8-18-32-26/h1-24H;1-22H;1-19H.
What are the key properties of 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylbenzo[g][1,3]benzoxazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylbenzo[g][1,3]benzoxazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylbenzo[g][1,3]benzoxazole?
8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylbenzo[g][1,3]benzoxazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylbenzo[g][1,3]benzoxazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylbenzo[g][1,3]benzoxazole has a molecular weight of 1580.78 g/mol, XLogP of 26.36, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylbenzo[g][1,3]benzoxazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylbenzo[g][1,3]benzoxazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylbenzo[g][1,3]benzoxazole is sourced from PubChem (CID 158655518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).