9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzoxazole;20-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene

C121H74N12O3 — CID 158487413

IUPAC9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzoxazole;20-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5cccc6oc7ccccc7c7cccc4c7c65)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5ccc6nc(-c7ccccc7)oc6c5c4)c3)n2)cc1.c1ccc(-c2nc3ccc4ccc5cc(-c6nc(-c7ccc8ccccc8c7)nc(-c7ccc8ccccc8c7)n6)ccc5c4c3o2)cc1
InChIInChI=1S/C44H26N4O.C39H24N4O.C38H24N4O/c1-2-10-30(11-3-1)44-45-38-23-21-29-16-17-33-26-36(20-22-37(33)39(29)40(38)49-44)43-47-41(34-18-14-27-8-4-6-12-31(27)24-34)46-42(48-43)35-19-15-28-9-5-7-13-32(28)25-35;1-3-11-25(12-4-1)26-21-23-28(24-22-26)38-40-37(27-13-5-2-6-14-27)41-39(42-38)43-31-17-9-16-30-29-15-7-8-19-33(29)44-34-20-10-18-32(43)36(34)35(30)31;1-4-11-26(12-5-1)35-40-36(27-13-6-2-7-14-27)42-37(41-35)31-18-10-17-29(23-31)30-20-19-25-21-22-33-34(32(25)24-30)43-38(39-33)28-15-8-3-9-16-28/h1-26H;1-24H;1-24H
InChIKeyHIGPFAGRFVZVBL-UHFFFAOYSA-N
MW1744.00 g/mol
LogP30.66
Rot. Bonds13

About 9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzoxazole;20-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene

9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzoxazole;20-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene (PubChem CID 158487413) has the molecular formula C121H74N12O3 and a molecular weight of 1744.00 g/mol. Its IUPAC name is 9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzoxazole;20-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene.

Molecular Properties

Compound Name9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzoxazole;20-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene
PubChem CID158487413
Molecular FormulaC121H74N12O3
Molecular Weight1744.00 g/mol
Exact Mass1742.60
IUPAC Name9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzoxazole;20-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5cccc6oc7ccccc7c7cccc4c7c65)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5ccc6nc(-c7ccccc7)oc6c5c4)c3)n2)cc1.c1ccc(-c2nc3ccc4ccc5cc(-c6nc(-c7ccc8ccccc8c7)nc(-c7ccc8ccccc8c7)n6)ccc5c4c3o2)cc1
InChIInChI=1S/C44H26N4O.C39H24N4O.C38H24N4O/c1-2-10-30(11-3-1)44-45-38-23-21-29-16-17-33-26-36(20-22-37(33)39(29)40(38)49-44)43-47-41(34-18-14-27-8-4-6-12-31(27)24-34)46-42(48-43)35-19-15-28-9-5-7-13-32(28)25-35;1-3-11-25(12-4-1)26-21-23-28(24-22-26)38-40-37(27-13-5-2-6-14-27)41-39(42-38)43-31-17-9-16-30-29-15-7-8-19-33(29)44-34-20-10-18-32(43)36(34)35(30)31;1-4-11-26(12-5-1)35-40-36(27-13-6-2-7-14-27)42-37(41-35)31-18-10-17-29(23-31)30-20-19-25-21-22-33-34(32(25)24-30)43-38(39-33)28-15-8-3-9-16-28/h1-26H;1-24H;1-24H
InChIKeyHIGPFAGRFVZVBL-UHFFFAOYSA-N
XLogP30.66
TPSA186.14 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001744.00
LogP ≤ 530.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzoxazole;20-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene with MolForge

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Related Compounds

9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 139312741
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 134365347
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
18-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-naphthalen-2-ylphenyl)-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 176631698
19-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-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 176631677
5-phenyl-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-oxa-6,11-diazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene
CID 163579151
2-phenyl-10-[4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphtho[2,1-g][1,3]benzoxazole
CID 164747987
18-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-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 177086163
18-(4-naphthalen-2-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 176631316
18-[4-naphthalen-2-yl-6-(6-phenylnaphthalen-2-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(20),16,18-nonaene
CID 177085742
17-[4-(3-naphthalen-2-ylphenyl)-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 176631304
9-[4-(3-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764260

Frequently Asked Questions

What is the IUPAC name of 9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzoxazole;20-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene?
The IUPAC name of 9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzoxazole;20-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene (CID 158487413) is 9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzoxazole;20-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene.
What is the SMILES notation for 9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzoxazole;20-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene?
The canonical SMILES for 9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzoxazole;20-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5cccc6oc7ccccc7c7cccc4c7c65)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5ccc6nc(-c7ccccc7)oc6c5c4)c3)n2)cc1.c1ccc(-c2nc3ccc4ccc5cc(-c6nc(-c7ccc8ccccc8c7)nc(-c7ccc8ccccc8c7)n6)ccc5c4c3o2)cc1.
What is the InChIKey of 9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzoxazole;20-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene?
The InChIKey is HIGPFAGRFVZVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4O.C39H24N4O.C38H24N4O/c1-2-10-30(11-3-1)44-45-38-23-21-29-16-17-33-26-36(20-22-37(33)39(29)40(38)49-44)43-47-41(34-18-14-27-8-4-6-12-31(27)24-34)46-42(48-43)35-19-15-28-9-5-7-13-32(28)25-35;1-3-11-25(12-4-1)26-21-23-28(24-22-26)38-40-37(27-13-5-2-6-14-27)41-39(42-38)43-31-17-9-16-30-29-15-7-8-19-33(29)44-34-20-10-18-32(43)36(34)35(30)31;1-4-11-26(12-5-1)35-40-36(27-13-6-2-7-14-27)42-37(41-35)31-18-10-17-29(23-31)30-20-19-25-21-22-33-34(32(25)24-30)43-38(39-33)28-15-8-3-9-16-28/h1-26H;1-24H;1-24H.
What are the key properties of 9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzoxazole;20-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene?
9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzoxazole;20-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene has a molecular weight of 1744.00 g/mol, XLogP of 30.66, 13 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzoxazole;20-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene is sourced from PubChem (CID 158487413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).