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

C107H65N13O3 — CID 159089274

IUPAC8-(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
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc5oc(-c6cc7ccccc7c7ccccc67)nc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc5oc(-c6ccc7ccccc7c6)nc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc5oc(-c6ccccn6)nc5c4c3)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)41-40(45-35)34-23-28-15-7-8-16-30(28)31-17-9-10-18-32(31)34;1-3-10-25(11-4-1)33-38-34(26-12-5-2-6-13-26)40-35(39-33)28-17-16-24-19-20-31-32(30(24)22-28)37-36(41-31)29-18-15-23-9-7-8-14-27(23)21-29;1-3-9-21(10-4-1)28-34-29(22-11-5-2-6-12-22)36-30(35-28)23-15-14-20-16-17-26-27(24(20)19-23)33-31(37-26)25-13-7-8-18-32-25/h1-24H;1-22H;1-19H
InChIKeyKBVRTKOXNLDXBB-UHFFFAOYSA-N
MW1580.78 g/mol
LogP26.36
Rot. Bonds12

About 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

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 (PubChem CID 159089274) 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-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.

Molecular Properties

Compound Name8-(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
PubChem CID159089274
Molecular FormulaC107H65N13O3
Molecular Weight1580.78 g/mol
Exact Mass1579.53
IUPAC Name8-(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
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc5oc(-c6cc7ccccc7c7ccccc67)nc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc5oc(-c6ccc7ccccc7c6)nc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc5oc(-c6ccccn6)nc5c4c3)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)41-40(45-35)34-23-28-15-7-8-16-30(28)31-17-9-10-18-32(31)34;1-3-10-25(11-4-1)33-38-34(26-12-5-2-6-13-26)40-35(39-33)28-17-16-24-19-20-31-32(30(24)22-28)37-36(41-31)29-18-15-23-9-7-8-14-27(23)21-29;1-3-9-21(10-4-1)28-34-29(22-11-5-2-6-12-22)36-30(35-28)23-15-14-20-16-17-26-27(24(20)19-23)33-31(37-26)25-13-7-8-18-32-25/h1-24H;1-22H;1-19H
InChIKeyKBVRTKOXNLDXBB-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-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 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;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
18-(4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)-5-phenyl-6,11-dioxa-4-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15(20),16,18-nonaene
CID 177085945
8-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenanthro[2,1-e][1,3]benzoxazole
CID 170122475
2-(8-naphthalen-2-yldibenzofuran-2-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 176616795
18-[4-phenanthren-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-6-oxa-11-thia-4-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15(20),16,18-nonaene
CID 177086052
2-dibenzofuran-2-yl-4-phenyl-6-picen-3-yl-1,3,5-triazine
CID 167087578
17-[4-phenanthren-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-6,11-dioxa-4-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15(20),16,18-nonaene
CID 177086299
2-[3,5-bis(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]benzo[e][1,3]benzoxazole;2-[3,5-bis(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine;2-[3,5-bis(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]phenanthro[9,10-d][1,3]oxazole
CID 159510993
16-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-6,11-dioxa-4-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15(20),16,18-nonaene
CID 177086323
2-naphthalen-2-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 121287323
2-chrysen-2-yl-4-naphtho[2,1-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazine
CID 168739839
2-chrysen-2-yl-4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176851515

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc5oc(-c6cc7ccccc7c7ccccc67)nc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc5oc(-c6ccc7ccccc7c6)nc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc5oc(-c6ccccn6)nc5c4c3)n2)cc1.
What is the InChIKey of 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?
The InChIKey is KBVRTKOXNLDXBB-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)41-40(45-35)34-23-28-15-7-8-16-30(28)31-17-9-10-18-32(31)34;1-3-10-25(11-4-1)33-38-34(26-12-5-2-6-13-26)40-35(39-33)28-17-16-24-19-20-31-32(30(24)22-28)37-36(41-31)29-18-15-23-9-7-8-14-27(23)21-29;1-3-9-21(10-4-1)28-34-29(22-11-5-2-6-12-22)36-30(35-28)23-15-14-20-16-17-26-27(24(20)19-23)33-31(37-26)25-13-7-8-18-32-25/h1-24H;1-22H;1-19H.
What are the key properties of 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?
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 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-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 is sourced from PubChem (CID 159089274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).