2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(4-phenylphenanthren-2-yl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-phenanthren-1-yl-1,3,5-triazine;2,4-di(dibenzothiophen-1-yl)-6-phenanthren-9-yl-1,3,5-triazine

C127H73N9O3S2 — CID 165083510

About 2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(4-phenylphenanthren-2-yl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-phenanthren-1-yl-1,3,5-triazine;2,4-di(dibenzothiophen-1-yl)-6-phenanthren-9-yl-1,3,5-triazine

2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(4-phenylphenanthren-2-yl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-phenanthren-1-yl-1,3,5-triazine;2,4-di(dibenzothiophen-1-yl)-6-phenanthren-9-yl-1,3,5-triazine (PubChem CID 165083510) has the molecular formula C127H73N9O3S2 and a molecular weight of 1837.17 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(4-phenylphenanthren-2-yl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-phenanthren-1-yl-1,3,5-triazine;2,4-di(dibenzothiophen-1-yl)-6-phenanthren-9-yl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(4-phenylphenanthren-2-yl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-phenanthren-1-yl-1,3,5-triazine;2,4-di(dibenzothiophen-1-yl)-6-phenanthren-9-yl-1,3,5-triazine
• PubChem CID: 165083510
• Molecular Formula: C127H73N9O3S2
• Molecular Weight: 1837.17 g/mol
• Exact Mass: 1835.53
• IUPAC Name: 2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(4-phenylphenanthren-2-yl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-phenanthren-1-yl-1,3,5-triazine;2,4-di(dibenzothiophen-1-yl)-6-phenanthren-9-yl-1,3,5-triazine
• SMILES: c1ccc(-c2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5oc6ccccc6c45)n3)cc3ccc4ccccc4c23)cc1.c1ccc2c(c1)cc(-c1nc(-c3cccc4sc5ccccc5c34)nc(-c3cccc4sc5ccccc5c34)n1)c1ccccc12.c1ccc2c(c1)ccc1c(-c3nc(-c4cccc5oc6ccccc6c45)nc(-c4cccc5oc6ccccc6c45)n3)cccc12
• InChI: InChI=1S/C45H27N3O.C41H23N3O2.C41H23N3S2/c1-2-12-29(13-3-1)38-27-34(26-32-23-22-30-14-6-7-16-35(30)41(32)38)44-46-43(33-24-21-28-11-4-5-15-31(28)25-33)47-45(48-44)37-18-10-20-40-42(37)36-17-8-9-19-39(36)49-40;1-2-11-25-24(10-1)22-23-27-26(25)14-7-15-28(27)39-42-40(31-16-8-20-35-37(31)29-12-3-5-18-33(29)45-35)44-41(43-39)32-17-9-21-36-38(32)30-13-4-6-19-34(30)46-36;1-2-12-25-24(11-1)23-32(27-14-4-3-13-26(25)27)41-43-39(30-17-9-21-35-37(30)28-15-5-7-19-33(28)45-35)42-40(44-41)31-18-10-22-36-38(31)29-16-6-8-20-34(29)46-36/h1-27H;2*1-23H
• InChIKey: VNBVPUABXASSGZ-UHFFFAOYSA-N
• XLogP: 34.79
• TPSA: 155.43 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1837.17
LogP ≤ 5	34.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(4-phenylphenanthren-2-yl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-phenanthren-1-yl-1,3,5-triazine;2,4-di(dibenzothiophen-1-yl)-6-phenanthren-9-yl-1,3,5-triazine?

The IUPAC name of 2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(4-phenylphenanthren-2-yl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-phenanthren-1-yl-1,3,5-triazine;2,4-di(dibenzothiophen-1-yl)-6-phenanthren-9-yl-1,3,5-triazine (CID 165083510) is 2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(4-phenylphenanthren-2-yl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-phenanthren-1-yl-1,3,5-triazine;2,4-di(dibenzothiophen-1-yl)-6-phenanthren-9-yl-1,3,5-triazine.

What is the SMILES notation for 2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(4-phenylphenanthren-2-yl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-phenanthren-1-yl-1,3,5-triazine;2,4-di(dibenzothiophen-1-yl)-6-phenanthren-9-yl-1,3,5-triazine?

The canonical SMILES for 2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(4-phenylphenanthren-2-yl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-phenanthren-1-yl-1,3,5-triazine;2,4-di(dibenzothiophen-1-yl)-6-phenanthren-9-yl-1,3,5-triazine is c1ccc(-c2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5oc6ccccc6c45)n3)cc3ccc4ccccc4c23)cc1.c1ccc2c(c1)cc(-c1nc(-c3cccc4sc5ccccc5c34)nc(-c3cccc4sc5ccccc5c34)n1)c1ccccc12.c1ccc2c(c1)ccc1c(-c3nc(-c4cccc5oc6ccccc6c45)nc(-c4cccc5oc6ccccc6c45)n3)cccc12.

What is the InChIKey of 2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(4-phenylphenanthren-2-yl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-phenanthren-1-yl-1,3,5-triazine;2,4-di(dibenzothiophen-1-yl)-6-phenanthren-9-yl-1,3,5-triazine?

The InChIKey is VNBVPUABXASSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3O.C41H23N3O2.C41H23N3S2/c1-2-12-29(13-3-1)38-27-34(26-32-23-22-30-14-6-7-16-35(30)41(32)38)44-46-43(33-24-21-28-11-4-5-15-31(28)25-33)47-45(48-44)37-18-10-20-40-42(37)36-17-8-9-19-39(36)49-40;1-2-11-25-24(10-1)22-23-27-26(25)14-7-15-28(27)39-42-40(31-16-8-20-35-37(31)29-12-3-5-18-33(29)45-35)44-41(43-39)32-17-9-21-36-38(32)30-13-4-6-19-34(30)46-36;1-2-12-25-24(11-1)23-32(27-14-4-3-13-26(25)27)41-43-39(30-17-9-21-35-37(30)28-15-5-7-19-33(28)45-35)42-40(44-41)31-18-10-22-36-38(31)29-16-6-8-20-34(29)46-36/h1-27H;2*1-23H.

What are the key properties of 2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(4-phenylphenanthren-2-yl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-phenanthren-1-yl-1,3,5-triazine;2,4-di(dibenzothiophen-1-yl)-6-phenanthren-9-yl-1,3,5-triazine?

2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(4-phenylphenanthren-2-yl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-phenanthren-1-yl-1,3,5-triazine;2,4-di(dibenzothiophen-1-yl)-6-phenanthren-9-yl-1,3,5-triazine has a molecular weight of 1837.17 g/mol, XLogP of 34.79, 10 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(4-phenylphenanthren-2-yl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-phenanthren-1-yl-1,3,5-triazine;2,4-di(dibenzothiophen-1-yl)-6-phenanthren-9-yl-1,3,5-triazine is sourced from PubChem (CID 165083510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).