4-chloro-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,6-dichloro-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;phenylboronic acid

C93H66B2Cl3N15O7 — CID 163655909

About 4-chloro-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,6-dichloro-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;phenylboronic acid

4-chloro-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,6-dichloro-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;phenylboronic acid (PubChem CID 163655909) has the molecular formula C93H66B2Cl3N15O7 and a molecular weight of 1633.63 g/mol. Its IUPAC name is 4-chloro-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,6-dichloro-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;phenylboronic acid.

Molecular Properties

• Compound Name: 4-chloro-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,6-dichloro-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;phenylboronic acid
• PubChem CID: 163655909
• Molecular Formula: C93H66B2Cl3N15O7
• Molecular Weight: 1633.63 g/mol
• Exact Mass: 1631.45
• IUPAC Name: 4-chloro-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,6-dichloro-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;phenylboronic acid
• SMILES: CC1(C)OB(c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)OC1(C)C.Clc1nc(-c2ccccc2)c2oc3ncccc3c2n1.Clc1nc(Cl)c2oc3ncccc3c2n1.OB(O)c1ccccc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc(-c5ccccc5)c5oc6ncccc6c5n4)cc3)n2)cc1
• InChI: InChI=1S/C36H22N6O.C27H26BN3O2.C15H8ClN3O.C9H3Cl2N3O.C6H7BO2/c1-4-11-23(12-5-1)29-31-30(28-17-10-22-37-36(28)43-31)39-32(38-29)26-18-20-27(21-19-26)35-41-33(24-13-6-2-7-14-24)40-34(42-35)25-15-8-3-9-16-25;1-26(2)27(3,4)33-28(32-26)22-17-15-21(16-18-22)25-30-23(19-11-7-5-8-12-19)29-24(31-25)20-13-9-6-10-14-20;16-15-18-11(9-5-2-1-3-6-9)13-12(19-15)10-7-4-8-17-14(10)20-13;10-7-6-5(13-9(11)14-7)4-2-1-3-12-8(4)15-6;8-7(9)6-4-2-1-3-5-6/h1-22H;5-18H,1-4H3;1-8H;1-3H;1-5,8-9H
• InChIKey: IQEQOGWBLJBDQB-UHFFFAOYSA-N
• XLogP: 20.00
• TPSA: 291.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 11
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1633.63
LogP ≤ 5	20.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,6-dichloro-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;phenylboronic acid?

The IUPAC name of 4-chloro-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,6-dichloro-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;phenylboronic acid (CID 163655909) is 4-chloro-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,6-dichloro-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;phenylboronic acid.

What is the SMILES notation for 4-chloro-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,6-dichloro-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;phenylboronic acid?

The canonical SMILES for 4-chloro-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,6-dichloro-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;phenylboronic acid is CC1(C)OB(c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)OC1(C)C.Clc1nc(-c2ccccc2)c2oc3ncccc3c2n1.Clc1nc(Cl)c2oc3ncccc3c2n1.OB(O)c1ccccc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc(-c5ccccc5)c5oc6ncccc6c5n4)cc3)n2)cc1.

What is the InChIKey of 4-chloro-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,6-dichloro-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;phenylboronic acid?

The InChIKey is IQEQOGWBLJBDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N6O.C27H26BN3O2.C15H8ClN3O.C9H3Cl2N3O.C6H7BO2/c1-4-11-23(12-5-1)29-31-30(28-17-10-22-37-36(28)43-31)39-32(38-29)26-18-20-27(21-19-26)35-41-33(24-13-6-2-7-14-24)40-34(42-35)25-15-8-3-9-16-25;1-26(2)27(3,4)33-28(32-26)22-17-15-21(16-18-22)25-30-23(19-11-7-5-8-12-19)29-24(31-25)20-13-9-6-10-14-20;16-15-18-11(9-5-2-1-3-6-9)13-12(19-15)10-7-4-8-17-14(10)20-13;10-7-6-5(13-9(11)14-7)4-2-1-3-12-8(4)15-6;8-7(9)6-4-2-1-3-5-6/h1-22H;5-18H,1-4H3;1-8H;1-3H;1-5,8-9H.

What are the key properties of 4-chloro-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,6-dichloro-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;phenylboronic acid?

4-chloro-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,6-dichloro-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;phenylboronic acid has a molecular weight of 1633.63 g/mol, XLogP of 20.00, 11 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,6-dichloro-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;phenylboronic acid is sourced from PubChem (CID 163655909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).