5-[2-benzo[h]quinolin-5-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzoxazole;5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]-2-phenyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzoxazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzoxazole

C219H143N23O5 — CID 158690766

IUPAC5-[2-benzo[h]quinolin-5-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzoxazole;5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]-2-phenyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzoxazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzoxazole
SMILESCCc1nc2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3-c3ccc(C)nc3C)ccc2o1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5nc(-c6ccccc6)oc5c4)c(-c4ccccc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5oc(-c6ccccc6)nc5c4)c(-c4cc5ccccc5c5ccccc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5oc(-c6ccccc6)nc5c4)c(-c4cc5ccccc5c5ncccc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5oc(-c6ccccc6)nc5c4)c(-c4nc5ccccc5c5ccccc45)c3)n2)cc1
InChIInChI=1S/C48H30N4O.2C47H29N5O.C40H26N4O.C37H29N5O/c1-4-14-31(15-5-1)45-50-46(32-16-6-2-7-17-32)52-47(51-45)36-24-26-38(35-25-27-44-43(30-35)49-48(53-44)33-18-8-3-9-19-33)41(29-36)42-28-34-20-10-11-21-37(34)39-22-12-13-23-40(39)42;1-4-14-30(15-5-1)44-50-45(31-16-6-2-7-17-31)52-46(51-44)34-24-26-35(33-25-27-42-41(29-33)49-47(53-42)32-18-8-3-9-19-32)39(28-34)43-38-22-11-10-20-36(38)37-21-12-13-23-40(37)48-43;1-4-13-30(14-5-1)44-50-45(31-15-6-2-7-16-31)52-46(51-44)35-22-24-36(34-23-25-42-41(29-34)49-47(53-42)32-17-8-3-9-18-32)39(28-35)40-27-33-19-10-11-20-37(33)43-38(40)21-12-26-48-43;1-5-13-27(14-6-1)34-25-32(39-43-37(28-15-7-2-8-16-28)42-38(44-39)29-17-9-3-10-18-29)21-23-33(34)31-22-24-35-36(26-31)45-40(41-35)30-19-11-4-12-20-30;1-4-34-39-32-22-27(17-20-33(32)43-34)30-19-16-28(21-31(30)29-18-15-23(2)38-24(29)3)37-41-35(25-11-7-5-8-12-25)40-36(42-37)26-13-9-6-10-14-26/h1-30H;2*1-29H;1-26H;5-22H,4H2,1-3H3
InChIKeyIGHZONWLGGIABM-UHFFFAOYSA-N
MW3176.71 g/mol
LogP54.69
Rot. Bonds30

About 5-[2-benzo[h]quinolin-5-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzoxazole;5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]-2-phenyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzoxazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzoxazole

5-[2-benzo[h]quinolin-5-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzoxazole;5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]-2-phenyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzoxazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzoxazole (PubChem CID 158690766) has the molecular formula C219H143N23O5 and a molecular weight of 3176.71 g/mol. Its IUPAC name is 5-[2-benzo[h]quinolin-5-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzoxazole;5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]-2-phenyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzoxazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name5-[2-benzo[h]quinolin-5-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzoxazole;5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]-2-phenyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzoxazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzoxazole
PubChem CID158690766
Molecular FormulaC219H143N23O5
Molecular Weight3176.71 g/mol
Exact Mass3174.16
IUPAC Name5-[2-benzo[h]quinolin-5-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzoxazole;5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]-2-phenyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzoxazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzoxazole
SMILESCCc1nc2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3-c3ccc(C)nc3C)ccc2o1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5nc(-c6ccccc6)oc5c4)c(-c4ccccc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5oc(-c6ccccc6)nc5c4)c(-c4cc5ccccc5c5ccccc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5oc(-c6ccccc6)nc5c4)c(-c4cc5ccccc5c5ncccc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5oc(-c6ccccc6)nc5c4)c(-c4nc5ccccc5c5ccccc45)c3)n2)cc1
InChIInChI=1S/C48H30N4O.2C47H29N5O.C40H26N4O.C37H29N5O/c1-4-14-31(15-5-1)45-50-46(32-16-6-2-7-17-32)52-47(51-45)36-24-26-38(35-25-27-44-43(30-35)49-48(53-44)33-18-8-3-9-19-33)41(29-36)42-28-34-20-10-11-21-37(34)39-22-12-13-23-40(39)42;1-4-14-30(15-5-1)44-50-45(31-16-6-2-7-17-31)52-46(51-44)34-24-26-35(33-25-27-42-41(29-33)49-47(53-42)32-18-8-3-9-19-32)39(28-34)43-38-22-11-10-20-36(38)37-21-12-13-23-40(37)48-43;1-4-13-30(14-5-1)44-50-45(31-15-6-2-7-16-31)52-46(51-44)35-22-24-36(34-23-25-42-41(29-34)49-47(53-42)32-17-8-3-9-18-32)39(28-35)40-27-33-19-10-11-20-37(33)43-38(40)21-12-26-48-43;1-5-13-27(14-6-1)34-25-32(39-43-37(28-15-7-2-8-16-28)42-38(44-39)29-17-9-3-10-18-29)21-23-33(34)31-22-24-35-36(26-31)45-40(41-35)30-19-11-4-12-20-30;1-4-34-39-32-22-27(17-20-33(32)43-34)30-19-16-28(21-31(30)29-18-15-23(2)38-24(29)3)37-41-35(25-11-7-5-8-12-25)40-36(42-37)26-13-9-6-10-14-26/h1-30H;2*1-29H;1-26H;5-22H,4H2,1-3H3
InChIKeyIGHZONWLGGIABM-UHFFFAOYSA-N
XLogP54.69
TPSA362.17 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds30
Heavy Atoms247
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003176.71
LogP ≤ 554.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 5-[2-benzo[h]quinolin-5-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzoxazole;5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]-2-phenyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzoxazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzoxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-benzo[h]quinolin-5-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzoxazole;5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]-2-phenyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzoxazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzoxazole?
The IUPAC name of 5-[2-benzo[h]quinolin-5-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzoxazole;5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]-2-phenyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzoxazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzoxazole (CID 158690766) is 5-[2-benzo[h]quinolin-5-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzoxazole;5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]-2-phenyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzoxazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzoxazole.
What is the SMILES notation for 5-[2-benzo[h]quinolin-5-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzoxazole;5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]-2-phenyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzoxazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzoxazole?
The canonical SMILES for 5-[2-benzo[h]quinolin-5-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzoxazole;5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]-2-phenyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzoxazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzoxazole is CCc1nc2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3-c3ccc(C)nc3C)ccc2o1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5nc(-c6ccccc6)oc5c4)c(-c4ccccc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5oc(-c6ccccc6)nc5c4)c(-c4cc5ccccc5c5ccccc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5oc(-c6ccccc6)nc5c4)c(-c4cc5ccccc5c5ncccc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5oc(-c6ccccc6)nc5c4)c(-c4nc5ccccc5c5ccccc45)c3)n2)cc1.
What is the InChIKey of 5-[2-benzo[h]quinolin-5-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzoxazole;5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]-2-phenyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzoxazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzoxazole?
The InChIKey is IGHZONWLGGIABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4O.2C47H29N5O.C40H26N4O.C37H29N5O/c1-4-14-31(15-5-1)45-50-46(32-16-6-2-7-17-32)52-47(51-45)36-24-26-38(35-25-27-44-43(30-35)49-48(53-44)33-18-8-3-9-19-33)41(29-36)42-28-34-20-10-11-21-37(34)39-22-12-13-23-40(39)42;1-4-14-30(15-5-1)44-50-45(31-16-6-2-7-17-31)52-46(51-44)34-24-26-35(33-25-27-42-41(29-33)49-47(53-42)32-18-8-3-9-19-32)39(28-34)43-38-22-11-10-20-36(38)37-21-12-13-23-40(37)48-43;1-4-13-30(14-5-1)44-50-45(31-15-6-2-7-16-31)52-46(51-44)35-22-24-36(34-23-25-42-41(29-34)49-47(53-42)32-17-8-3-9-18-32)39(28-35)40-27-33-19-10-11-20-37(33)43-38(40)21-12-26-48-43;1-5-13-27(14-6-1)34-25-32(39-43-37(28-15-7-2-8-16-28)42-38(44-39)29-17-9-3-10-18-29)21-23-33(34)31-22-24-35-36(26-31)45-40(41-35)30-19-11-4-12-20-30;1-4-34-39-32-22-27(17-20-33(32)43-34)30-19-16-28(21-31(30)29-18-15-23(2)38-24(29)3)37-41-35(25-11-7-5-8-12-25)40-36(42-37)26-13-9-6-10-14-26/h1-30H;2*1-29H;1-26H;5-22H,4H2,1-3H3.
What are the key properties of 5-[2-benzo[h]quinolin-5-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzoxazole;5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]-2-phenyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzoxazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzoxazole?
5-[2-benzo[h]quinolin-5-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzoxazole;5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]-2-phenyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzoxazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzoxazole has a molecular weight of 3176.71 g/mol, XLogP of 54.69, 30 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-benzo[h]quinolin-5-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzoxazole;5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]-2-phenyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzoxazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzoxazole is sourced from PubChem (CID 158690766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).