2-(7-dibenzothiophen-2-ylphenanthren-2-yl)-1,10-phenanthroline;2-(7-dibenzothiophen-4-ylphenanthren-2-yl)-1,10-phenanthroline;8-methoxy-1-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[3,2-c]pyridine;2-(4-naphtho[1,2-b][1]benzothiol-6-ylphenyl)-9-phenyl-1,10-phenanthroline;2-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-9-phenyl-1,10-phenanthroline;2-(4-naphtho[2,1-b][1]benzothiol-10-ylphenyl)-9-phenyl-1,10-phenanthroline

C232H139N13OS6 — CID 158524977

About 2-(7-dibenzothiophen-2-ylphenanthren-2-yl)-1,10-phenanthroline;2-(7-dibenzothiophen-4-ylphenanthren-2-yl)-1,10-phenanthroline;8-methoxy-1-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[3,2-c]pyridine;2-(4-naphtho[1,2-b][1]benzothiol-6-ylphenyl)-9-phenyl-1,10-phenanthroline;2-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-9-phenyl-1,10-phenanthroline;2-(4-naphtho[2,1-b][1]benzothiol-10-ylphenyl)-9-phenyl-1,10-phenanthroline

2-(7-dibenzothiophen-2-ylphenanthren-2-yl)-1,10-phenanthroline;2-(7-dibenzothiophen-4-ylphenanthren-2-yl)-1,10-phenanthroline;8-methoxy-1-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[3,2-c]pyridine;2-(4-naphtho[1,2-b][1]benzothiol-6-ylphenyl)-9-phenyl-1,10-phenanthroline;2-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-9-phenyl-1,10-phenanthroline;2-(4-naphtho[2,1-b][1]benzothiol-10-ylphenyl)-9-phenyl-1,10-phenanthroline (PubChem CID 158524977) has the molecular formula C232H139N13OS6 and a molecular weight of 3317.16 g/mol. Its IUPAC name is 2-(7-dibenzothiophen-2-ylphenanthren-2-yl)-1,10-phenanthroline;2-(7-dibenzothiophen-4-ylphenanthren-2-yl)-1,10-phenanthroline;8-methoxy-1-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[3,2-c]pyridine;2-(4-naphtho[1,2-b][1]benzothiol-6-ylphenyl)-9-phenyl-1,10-phenanthroline;2-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-9-phenyl-1,10-phenanthroline;2-(4-naphtho[2,1-b][1]benzothiol-10-ylphenyl)-9-phenyl-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2-(7-dibenzothiophen-2-ylphenanthren-2-yl)-1,10-phenanthroline;2-(7-dibenzothiophen-4-ylphenanthren-2-yl)-1,10-phenanthroline;8-methoxy-1-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[3,2-c]pyridine;2-(4-naphtho[1,2-b][1]benzothiol-6-ylphenyl)-9-phenyl-1,10-phenanthroline;2-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-9-phenyl-1,10-phenanthroline;2-(4-naphtho[2,1-b][1]benzothiol-10-ylphenyl)-9-phenyl-1,10-phenanthroline
• PubChem CID: 158524977
• Molecular Formula: C232H139N13OS6
• Molecular Weight: 3317.16 g/mol
• Exact Mass: 3313.95
• IUPAC Name: 2-(7-dibenzothiophen-2-ylphenanthren-2-yl)-1,10-phenanthroline;2-(7-dibenzothiophen-4-ylphenanthren-2-yl)-1,10-phenanthroline;8-methoxy-1-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[3,2-c]pyridine;2-(4-naphtho[1,2-b][1]benzothiol-6-ylphenyl)-9-phenyl-1,10-phenanthroline;2-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-9-phenyl-1,10-phenanthroline;2-(4-naphtho[2,1-b][1]benzothiol-10-ylphenyl)-9-phenyl-1,10-phenanthroline
• SMILES: COc1ccc2sc3ccnc(-c4ccc(-c5ccc6ccc7ccc(-c8ccccc8)nc7c6n5)cc4)c3c2c1.c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6cc7ccccc7c7sc8ccccc8c67)cc5)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6ccc7c(c6)sc6ccc8ccccc8c67)cc5)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6ccc7sc8ccc9ccccc9c8c7c6)cc5)nc4c3n2)cc1.c1cnc2c(c1)ccc1ccc(-c3ccc4c(ccc5cc(-c6ccc7sc8ccccc8c7c6)ccc54)c3)nc12.c1cnc2c(c1)ccc1ccc(-c3ccc4c(ccc5cc(-c6cccc7c6sc6ccccc67)ccc54)c3)nc12
• InChI: InChI=1S/3C40H24N2S.2C38H22N2S.C36H23N3OS/c1-2-8-26(9-3-1)34-22-20-28-18-19-29-21-23-35(42-39(29)38(28)41-34)27-16-14-25(15-17-27)33-24-30-10-4-5-11-31(30)40-37(33)32-12-6-7-13-36(32)43-40;1-2-7-27(8-3-1)34-20-16-29-14-15-30-17-21-35(42-40(30)39(29)41-34)28-12-10-25(11-13-28)31-19-22-36-33(24-31)38-32-9-5-4-6-26(32)18-23-37(38)43-36;1-2-7-27(8-3-1)34-21-17-29-14-15-30-18-22-35(42-40(30)39(29)41-34)28-12-10-25(11-13-28)31-16-20-33-37(24-31)43-36-23-19-26-6-4-5-9-32(26)38(33)36;1-2-9-35-32(6-1)33-8-3-7-31(38(33)41-35)27-14-17-29-25(21-27)12-13-26-22-28(15-18-30(26)29)34-19-16-24-11-10-23-5-4-20-39-36(23)37(24)40-34;1-2-6-35-32(5-1)33-22-26(14-18-36(33)41-35)25-11-15-30-27(20-25)9-10-28-21-29(12-16-31(28)30)34-17-13-24-8-7-23-4-3-19-39-37(23)38(24)40-34;1-40-27-15-18-31-28(21-27)33-32(41-31)19-20-37-34(33)24-9-7-23(8-10-24)30-17-14-26-12-11-25-13-16-29(22-5-3-2-4-6-22)38-35(25)36(26)39-30/h3*1-24H;2*1-22H;2-21H,1H3
• InChIKey: HMRIYGPDHPYQMY-UHFFFAOYSA-N
• XLogP: 65.05
• TPSA: 176.80 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 17
• Heavy Atoms: 252
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3317.16
LogP ≤ 5	65.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(7-dibenzothiophen-2-ylphenanthren-2-yl)-1,10-phenanthroline;2-(7-dibenzothiophen-4-ylphenanthren-2-yl)-1,10-phenanthroline;8-methoxy-1-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[3,2-c]pyridine;2-(4-naphtho[1,2-b][1]benzothiol-6-ylphenyl)-9-phenyl-1,10-phenanthroline;2-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-9-phenyl-1,10-phenanthroline;2-(4-naphtho[2,1-b][1]benzothiol-10-ylphenyl)-9-phenyl-1,10-phenanthroline?

The IUPAC name of 2-(7-dibenzothiophen-2-ylphenanthren-2-yl)-1,10-phenanthroline;2-(7-dibenzothiophen-4-ylphenanthren-2-yl)-1,10-phenanthroline;8-methoxy-1-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[3,2-c]pyridine;2-(4-naphtho[1,2-b][1]benzothiol-6-ylphenyl)-9-phenyl-1,10-phenanthroline;2-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-9-phenyl-1,10-phenanthroline;2-(4-naphtho[2,1-b][1]benzothiol-10-ylphenyl)-9-phenyl-1,10-phenanthroline (CID 158524977) is 2-(7-dibenzothiophen-2-ylphenanthren-2-yl)-1,10-phenanthroline;2-(7-dibenzothiophen-4-ylphenanthren-2-yl)-1,10-phenanthroline;8-methoxy-1-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[3,2-c]pyridine;2-(4-naphtho[1,2-b][1]benzothiol-6-ylphenyl)-9-phenyl-1,10-phenanthroline;2-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-9-phenyl-1,10-phenanthroline;2-(4-naphtho[2,1-b][1]benzothiol-10-ylphenyl)-9-phenyl-1,10-phenanthroline.

What is the SMILES notation for 2-(7-dibenzothiophen-2-ylphenanthren-2-yl)-1,10-phenanthroline;2-(7-dibenzothiophen-4-ylphenanthren-2-yl)-1,10-phenanthroline;8-methoxy-1-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[3,2-c]pyridine;2-(4-naphtho[1,2-b][1]benzothiol-6-ylphenyl)-9-phenyl-1,10-phenanthroline;2-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-9-phenyl-1,10-phenanthroline;2-(4-naphtho[2,1-b][1]benzothiol-10-ylphenyl)-9-phenyl-1,10-phenanthroline?

The canonical SMILES for 2-(7-dibenzothiophen-2-ylphenanthren-2-yl)-1,10-phenanthroline;2-(7-dibenzothiophen-4-ylphenanthren-2-yl)-1,10-phenanthroline;8-methoxy-1-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[3,2-c]pyridine;2-(4-naphtho[1,2-b][1]benzothiol-6-ylphenyl)-9-phenyl-1,10-phenanthroline;2-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-9-phenyl-1,10-phenanthroline;2-(4-naphtho[2,1-b][1]benzothiol-10-ylphenyl)-9-phenyl-1,10-phenanthroline is COc1ccc2sc3ccnc(-c4ccc(-c5ccc6ccc7ccc(-c8ccccc8)nc7c6n5)cc4)c3c2c1.c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6cc7ccccc7c7sc8ccccc8c67)cc5)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6ccc7c(c6)sc6ccc8ccccc8c67)cc5)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6ccc7sc8ccc9ccccc9c8c7c6)cc5)nc4c3n2)cc1.c1cnc2c(c1)ccc1ccc(-c3ccc4c(ccc5cc(-c6ccc7sc8ccccc8c7c6)ccc54)c3)nc12.c1cnc2c(c1)ccc1ccc(-c3ccc4c(ccc5cc(-c6cccc7c6sc6ccccc67)ccc54)c3)nc12.

What is the InChIKey of 2-(7-dibenzothiophen-2-ylphenanthren-2-yl)-1,10-phenanthroline;2-(7-dibenzothiophen-4-ylphenanthren-2-yl)-1,10-phenanthroline;8-methoxy-1-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[3,2-c]pyridine;2-(4-naphtho[1,2-b][1]benzothiol-6-ylphenyl)-9-phenyl-1,10-phenanthroline;2-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-9-phenyl-1,10-phenanthroline;2-(4-naphtho[2,1-b][1]benzothiol-10-ylphenyl)-9-phenyl-1,10-phenanthroline?

The InChIKey is HMRIYGPDHPYQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C40H24N2S.2C38H22N2S.C36H23N3OS/c1-2-8-26(9-3-1)34-22-20-28-18-19-29-21-23-35(42-39(29)38(28)41-34)27-16-14-25(15-17-27)33-24-30-10-4-5-11-31(30)40-37(33)32-12-6-7-13-36(32)43-40;1-2-7-27(8-3-1)34-20-16-29-14-15-30-17-21-35(42-40(30)39(29)41-34)28-12-10-25(11-13-28)31-19-22-36-33(24-31)38-32-9-5-4-6-26(32)18-23-37(38)43-36;1-2-7-27(8-3-1)34-21-17-29-14-15-30-18-22-35(42-40(30)39(29)41-34)28-12-10-25(11-13-28)31-16-20-33-37(24-31)43-36-23-19-26-6-4-5-9-32(26)38(33)36;1-2-9-35-32(6-1)33-8-3-7-31(38(33)41-35)27-14-17-29-25(21-27)12-13-26-22-28(15-18-30(26)29)34-19-16-24-11-10-23-5-4-20-39-36(23)37(24)40-34;1-2-6-35-32(5-1)33-22-26(14-18-36(33)41-35)25-11-15-30-27(20-25)9-10-28-21-29(12-16-31(28)30)34-17-13-24-8-7-23-4-3-19-39-37(23)38(24)40-34;1-40-27-15-18-31-28(21-27)33-32(41-31)19-20-37-34(33)24-9-7-23(8-10-24)30-17-14-26-12-11-25-13-16-29(22-5-3-2-4-6-22)38-35(25)36(26)39-30/h3*1-24H;2*1-22H;2-21H,1H3.

What are the key properties of 2-(7-dibenzothiophen-2-ylphenanthren-2-yl)-1,10-phenanthroline;2-(7-dibenzothiophen-4-ylphenanthren-2-yl)-1,10-phenanthroline;8-methoxy-1-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[3,2-c]pyridine;2-(4-naphtho[1,2-b][1]benzothiol-6-ylphenyl)-9-phenyl-1,10-phenanthroline;2-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-9-phenyl-1,10-phenanthroline;2-(4-naphtho[2,1-b][1]benzothiol-10-ylphenyl)-9-phenyl-1,10-phenanthroline?

2-(7-dibenzothiophen-2-ylphenanthren-2-yl)-1,10-phenanthroline;2-(7-dibenzothiophen-4-ylphenanthren-2-yl)-1,10-phenanthroline;8-methoxy-1-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[3,2-c]pyridine;2-(4-naphtho[1,2-b][1]benzothiol-6-ylphenyl)-9-phenyl-1,10-phenanthroline;2-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-9-phenyl-1,10-phenanthroline;2-(4-naphtho[2,1-b][1]benzothiol-10-ylphenyl)-9-phenyl-1,10-phenanthroline has a molecular weight of 3317.16 g/mol, XLogP of 65.05, 17 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(7-dibenzothiophen-2-ylphenanthren-2-yl)-1,10-phenanthroline;2-(7-dibenzothiophen-4-ylphenanthren-2-yl)-1,10-phenanthroline;8-methoxy-1-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[3,2-c]pyridine;2-(4-naphtho[1,2-b][1]benzothiol-6-ylphenyl)-9-phenyl-1,10-phenanthroline;2-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-9-phenyl-1,10-phenanthroline;2-(4-naphtho[2,1-b][1]benzothiol-10-ylphenyl)-9-phenyl-1,10-phenanthroline is sourced from PubChem (CID 158524977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).