bis(2-(3-dibenzothiophen-2-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline);2-(3-dibenzothiophen-4-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(2-dibenzothiophen-3-ylphenyl)-9-phenyl-1,10-phenanthroline;2-(2-dibenzothiophen-4-ylphenyl)-9-phenyl-1,10-phenanthroline

C232H140N12S6 — CID 160863182

About bis(2-(3-dibenzothiophen-2-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline);2-(3-dibenzothiophen-4-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(2-dibenzothiophen-3-ylphenyl)-9-phenyl-1,10-phenanthroline;2-(2-dibenzothiophen-4-ylphenyl)-9-phenyl-1,10-phenanthroline

bis(2-(3-dibenzothiophen-2-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline);2-(3-dibenzothiophen-4-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(2-dibenzothiophen-3-ylphenyl)-9-phenyl-1,10-phenanthroline;2-(2-dibenzothiophen-4-ylphenyl)-9-phenyl-1,10-phenanthroline (PubChem CID 160863182) has the molecular formula C232H140N12S6 and a molecular weight of 3288.16 g/mol. Its IUPAC name is bis(2-(3-dibenzothiophen-2-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline);2-(3-dibenzothiophen-4-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(2-dibenzothiophen-3-ylphenyl)-9-phenyl-1,10-phenanthroline;2-(2-dibenzothiophen-4-ylphenyl)-9-phenyl-1,10-phenanthroline.

Molecular Properties

• Compound Name: bis(2-(3-dibenzothiophen-2-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline);2-(3-dibenzothiophen-4-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(2-dibenzothiophen-3-ylphenyl)-9-phenyl-1,10-phenanthroline;2-(2-dibenzothiophen-4-ylphenyl)-9-phenyl-1,10-phenanthroline
• PubChem CID: 160863182
• Molecular Formula: C232H140N12S6
• Molecular Weight: 3288.16 g/mol
• Exact Mass: 3284.96
• IUPAC Name: bis(2-(3-dibenzothiophen-2-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline);2-(3-dibenzothiophen-4-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(2-dibenzothiophen-3-ylphenyl)-9-phenyl-1,10-phenanthroline;2-(2-dibenzothiophen-4-ylphenyl)-9-phenyl-1,10-phenanthroline
• SMILES: c1cc(-c2ccc3ccc4ccc(-c5cccc6ccccc56)nc4c3n2)cc(-c2cccc3c2sc2ccccc23)c1.c1cc(-c2ccc3sc4ccccc4c3c2)cc(-c2ccc3ccc4ccc(-c5cccc6ccccc56)nc4c3n2)c1.c1cc(-c2ccc3sc4ccccc4c3c2)cc(-c2ccc3ccc4ccc(-c5cccc6ccccc56)nc4c3n2)c1.c1ccc(-c2ccc3ccc4ccc(-c5ccccc5-c5ccc6c(c5)sc5ccccc56)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccccc5-c5cccc6c5sc5ccccc56)nc4c3n2)cc1.c1ccc2c(-c3ccc4ccc5ccc(-c6ccc(-c7cccc8c7sc7ccccc78)cc6)nc5c4n3)cccc2c1
• InChI: InChI=1S/4C40H24N2S.2C36H22N2S/c1-2-12-30-25(8-1)9-6-15-32(30)36-23-21-27-19-18-26-20-22-35(41-38(26)39(27)42-36)29-11-5-10-28(24-29)31-14-7-16-34-33-13-3-4-17-37(33)43-40(31)34;2*1-2-11-31-25(7-1)8-6-13-32(31)36-21-18-27-16-15-26-17-20-35(41-39(26)40(27)42-36)30-10-5-9-28(23-30)29-19-22-38-34(24-29)33-12-3-4-14-37(33)43-38;1-2-9-30-25(7-1)8-5-12-32(30)36-24-22-29-20-19-28-21-23-35(41-38(28)39(29)42-36)27-17-15-26(16-18-27)31-11-6-13-34-33-10-3-4-14-37(33)43-40(31)34;1-2-9-23(10-3-1)31-21-19-24-17-18-25-20-22-32(38-35(25)34(24)37-31)27-12-5-4-11-26(27)29-14-8-15-30-28-13-6-7-16-33(28)39-36(29)30;1-2-8-23(9-3-1)31-20-17-24-14-15-25-18-21-32(38-36(25)35(24)37-31)28-11-5-4-10-27(28)26-16-19-30-29-12-6-7-13-33(29)39-34(30)22-26/h4*1-24H;2*1-22H
• InChIKey: SKTJNFDHSNVWIS-UHFFFAOYSA-N
• XLogP: 65.52
• TPSA: 154.68 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 18
• Heavy Atoms: 250
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3288.16
LogP ≤ 5	65.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(2-(3-dibenzothiophen-2-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline);2-(3-dibenzothiophen-4-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(2-dibenzothiophen-3-ylphenyl)-9-phenyl-1,10-phenanthroline;2-(2-dibenzothiophen-4-ylphenyl)-9-phenyl-1,10-phenanthroline?

The IUPAC name of bis(2-(3-dibenzothiophen-2-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline);2-(3-dibenzothiophen-4-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(2-dibenzothiophen-3-ylphenyl)-9-phenyl-1,10-phenanthroline;2-(2-dibenzothiophen-4-ylphenyl)-9-phenyl-1,10-phenanthroline (CID 160863182) is bis(2-(3-dibenzothiophen-2-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline);2-(3-dibenzothiophen-4-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(2-dibenzothiophen-3-ylphenyl)-9-phenyl-1,10-phenanthroline;2-(2-dibenzothiophen-4-ylphenyl)-9-phenyl-1,10-phenanthroline.

What is the SMILES notation for bis(2-(3-dibenzothiophen-2-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline);2-(3-dibenzothiophen-4-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(2-dibenzothiophen-3-ylphenyl)-9-phenyl-1,10-phenanthroline;2-(2-dibenzothiophen-4-ylphenyl)-9-phenyl-1,10-phenanthroline?

The canonical SMILES for bis(2-(3-dibenzothiophen-2-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline);2-(3-dibenzothiophen-4-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(2-dibenzothiophen-3-ylphenyl)-9-phenyl-1,10-phenanthroline;2-(2-dibenzothiophen-4-ylphenyl)-9-phenyl-1,10-phenanthroline is c1cc(-c2ccc3ccc4ccc(-c5cccc6ccccc56)nc4c3n2)cc(-c2cccc3c2sc2ccccc23)c1.c1cc(-c2ccc3sc4ccccc4c3c2)cc(-c2ccc3ccc4ccc(-c5cccc6ccccc56)nc4c3n2)c1.c1cc(-c2ccc3sc4ccccc4c3c2)cc(-c2ccc3ccc4ccc(-c5cccc6ccccc56)nc4c3n2)c1.c1ccc(-c2ccc3ccc4ccc(-c5ccccc5-c5ccc6c(c5)sc5ccccc56)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccccc5-c5cccc6c5sc5ccccc56)nc4c3n2)cc1.c1ccc2c(-c3ccc4ccc5ccc(-c6ccc(-c7cccc8c7sc7ccccc78)cc6)nc5c4n3)cccc2c1.

What is the InChIKey of bis(2-(3-dibenzothiophen-2-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline);2-(3-dibenzothiophen-4-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(2-dibenzothiophen-3-ylphenyl)-9-phenyl-1,10-phenanthroline;2-(2-dibenzothiophen-4-ylphenyl)-9-phenyl-1,10-phenanthroline?

The InChIKey is SKTJNFDHSNVWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/4C40H24N2S.2C36H22N2S/c1-2-12-30-25(8-1)9-6-15-32(30)36-23-21-27-19-18-26-20-22-35(41-38(26)39(27)42-36)29-11-5-10-28(24-29)31-14-7-16-34-33-13-3-4-17-37(33)43-40(31)34;2*1-2-11-31-25(7-1)8-6-13-32(31)36-21-18-27-16-15-26-17-20-35(41-39(26)40(27)42-36)30-10-5-9-28(23-30)29-19-22-38-34(24-29)33-12-3-4-14-37(33)43-38;1-2-9-30-25(7-1)8-5-12-32(30)36-24-22-29-20-19-28-21-23-35(41-38(28)39(29)42-36)27-17-15-26(16-18-27)31-11-6-13-34-33-10-3-4-14-37(33)43-40(31)34;1-2-9-23(10-3-1)31-21-19-24-17-18-25-20-22-32(38-35(25)34(24)37-31)27-12-5-4-11-26(27)29-14-8-15-30-28-13-6-7-16-33(28)39-36(29)30;1-2-8-23(9-3-1)31-20-17-24-14-15-25-18-21-32(38-36(25)35(24)37-31)28-11-5-4-10-27(28)26-16-19-30-29-12-6-7-13-33(29)39-34(30)22-26/h4*1-24H;2*1-22H.

What are the key properties of bis(2-(3-dibenzothiophen-2-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline);2-(3-dibenzothiophen-4-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(2-dibenzothiophen-3-ylphenyl)-9-phenyl-1,10-phenanthroline;2-(2-dibenzothiophen-4-ylphenyl)-9-phenyl-1,10-phenanthroline?

bis(2-(3-dibenzothiophen-2-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline);2-(3-dibenzothiophen-4-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(2-dibenzothiophen-3-ylphenyl)-9-phenyl-1,10-phenanthroline;2-(2-dibenzothiophen-4-ylphenyl)-9-phenyl-1,10-phenanthroline has a molecular weight of 3288.16 g/mol, XLogP of 65.52, 18 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-(3-dibenzothiophen-2-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline);2-(3-dibenzothiophen-4-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(2-dibenzothiophen-3-ylphenyl)-9-phenyl-1,10-phenanthroline;2-(2-dibenzothiophen-4-ylphenyl)-9-phenyl-1,10-phenanthroline is sourced from PubChem (CID 160863182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).