6,11-di(dibenzofuran-4-yl)phenanthro[9,10-b]pyrazine;6,11-di(dibenzothiophen-4-yl)phenanthro[9,10-b]pyrazine;7,10-di(dibenzothiophen-4-yl)phenanthro[9,10-b]pyrazine;3-(6-phenyldibenzothiophen-4-yl)phenanthro[9,10-b]pyrazine

C154H86N8O2S5 — CID 158110632

About 6,11-di(dibenzofuran-4-yl)phenanthro[9,10-b]pyrazine;6,11-di(dibenzothiophen-4-yl)phenanthro[9,10-b]pyrazine;7,10-di(dibenzothiophen-4-yl)phenanthro[9,10-b]pyrazine;3-(6-phenyldibenzothiophen-4-yl)phenanthro[9,10-b]pyrazine

6,11-di(dibenzofuran-4-yl)phenanthro[9,10-b]pyrazine;6,11-di(dibenzothiophen-4-yl)phenanthro[9,10-b]pyrazine;7,10-di(dibenzothiophen-4-yl)phenanthro[9,10-b]pyrazine;3-(6-phenyldibenzothiophen-4-yl)phenanthro[9,10-b]pyrazine (PubChem CID 158110632) has the molecular formula C154H86N8O2S5 and a molecular weight of 2240.77 g/mol. Its IUPAC name is 6,11-di(dibenzofuran-4-yl)phenanthro[9,10-b]pyrazine;6,11-di(dibenzothiophen-4-yl)phenanthro[9,10-b]pyrazine;7,10-di(dibenzothiophen-4-yl)phenanthro[9,10-b]pyrazine;3-(6-phenyldibenzothiophen-4-yl)phenanthro[9,10-b]pyrazine.

Molecular Properties

• Compound Name: 6,11-di(dibenzofuran-4-yl)phenanthro[9,10-b]pyrazine;6,11-di(dibenzothiophen-4-yl)phenanthro[9,10-b]pyrazine;7,10-di(dibenzothiophen-4-yl)phenanthro[9,10-b]pyrazine;3-(6-phenyldibenzothiophen-4-yl)phenanthro[9,10-b]pyrazine
• PubChem CID: 158110632
• Molecular Formula: C154H86N8O2S5
• Molecular Weight: 2240.77 g/mol
• Exact Mass: 2238.55
• IUPAC Name: 6,11-di(dibenzofuran-4-yl)phenanthro[9,10-b]pyrazine;6,11-di(dibenzothiophen-4-yl)phenanthro[9,10-b]pyrazine;7,10-di(dibenzothiophen-4-yl)phenanthro[9,10-b]pyrazine;3-(6-phenyldibenzothiophen-4-yl)phenanthro[9,10-b]pyrazine
• SMILES: c1ccc(-c2cccc3c2sc2c(-c4cnc5c6ccccc6c6ccccc6c5n4)cccc23)cc1.c1ccc2c(c1)oc1c(-c3ccc4c5ccc(-c6cccc7c6oc6ccccc67)cc5c5nccnc5c4c3)cccc12.c1ccc2c(c1)sc1c(-c3ccc4c(c3)c3cc(-c5cccc6c5sc5ccccc56)ccc3c3nccnc43)cccc12.c1ccc2c(c1)sc1c(-c3ccc4c5ccc(-c6cccc7c6sc6ccccc67)cc5c5nccnc5c4c3)cccc12
• InChI: InChI=1S/C40H22N2O2.2C40H22N2S2.C34H20N2S/c2*1-3-13-35-29(7-1)31-11-5-9-25(39(31)43-35)23-15-17-27-28-18-16-24(22-34(28)38-37(33(27)21-23)41-19-20-42-38)26-10-6-12-32-30-8-2-4-14-36(30)44-40(26)32;1-3-13-35-27(7-1)31-11-5-9-25(39(31)43-35)23-15-17-29-33(21-23)34-22-24(16-18-30(34)38-37(29)41-19-20-42-38)26-10-6-12-32-28-8-2-4-14-36(28)44-40(26)32;1-2-10-21(11-3-1)22-16-8-17-27-28-18-9-19-29(34(28)37-33(22)27)30-20-35-31-25-14-6-4-12-23(25)24-13-5-7-15-26(24)32(31)36-30/h3*1-22H;1-20H
• InChIKey: FQJQTOWBBFTVFJ-UHFFFAOYSA-N
• XLogP: 44.72
• TPSA: 129.40 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 8
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2240.77
LogP ≤ 5	44.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6,11-di(dibenzofuran-4-yl)phenanthro[9,10-b]pyrazine;6,11-di(dibenzothiophen-4-yl)phenanthro[9,10-b]pyrazine;7,10-di(dibenzothiophen-4-yl)phenanthro[9,10-b]pyrazine;3-(6-phenyldibenzothiophen-4-yl)phenanthro[9,10-b]pyrazine?

The IUPAC name of 6,11-di(dibenzofuran-4-yl)phenanthro[9,10-b]pyrazine;6,11-di(dibenzothiophen-4-yl)phenanthro[9,10-b]pyrazine;7,10-di(dibenzothiophen-4-yl)phenanthro[9,10-b]pyrazine;3-(6-phenyldibenzothiophen-4-yl)phenanthro[9,10-b]pyrazine (CID 158110632) is 6,11-di(dibenzofuran-4-yl)phenanthro[9,10-b]pyrazine;6,11-di(dibenzothiophen-4-yl)phenanthro[9,10-b]pyrazine;7,10-di(dibenzothiophen-4-yl)phenanthro[9,10-b]pyrazine;3-(6-phenyldibenzothiophen-4-yl)phenanthro[9,10-b]pyrazine.

What is the SMILES notation for 6,11-di(dibenzofuran-4-yl)phenanthro[9,10-b]pyrazine;6,11-di(dibenzothiophen-4-yl)phenanthro[9,10-b]pyrazine;7,10-di(dibenzothiophen-4-yl)phenanthro[9,10-b]pyrazine;3-(6-phenyldibenzothiophen-4-yl)phenanthro[9,10-b]pyrazine?

The canonical SMILES for 6,11-di(dibenzofuran-4-yl)phenanthro[9,10-b]pyrazine;6,11-di(dibenzothiophen-4-yl)phenanthro[9,10-b]pyrazine;7,10-di(dibenzothiophen-4-yl)phenanthro[9,10-b]pyrazine;3-(6-phenyldibenzothiophen-4-yl)phenanthro[9,10-b]pyrazine is c1ccc(-c2cccc3c2sc2c(-c4cnc5c6ccccc6c6ccccc6c5n4)cccc23)cc1.c1ccc2c(c1)oc1c(-c3ccc4c5ccc(-c6cccc7c6oc6ccccc67)cc5c5nccnc5c4c3)cccc12.c1ccc2c(c1)sc1c(-c3ccc4c(c3)c3cc(-c5cccc6c5sc5ccccc56)ccc3c3nccnc43)cccc12.c1ccc2c(c1)sc1c(-c3ccc4c5ccc(-c6cccc7c6sc6ccccc67)cc5c5nccnc5c4c3)cccc12.

What is the InChIKey of 6,11-di(dibenzofuran-4-yl)phenanthro[9,10-b]pyrazine;6,11-di(dibenzothiophen-4-yl)phenanthro[9,10-b]pyrazine;7,10-di(dibenzothiophen-4-yl)phenanthro[9,10-b]pyrazine;3-(6-phenyldibenzothiophen-4-yl)phenanthro[9,10-b]pyrazine?

The InChIKey is FQJQTOWBBFTVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22N2O2.2C40H22N2S2.C34H20N2S/c2*1-3-13-35-29(7-1)31-11-5-9-25(39(31)43-35)23-15-17-27-28-18-16-24(22-34(28)38-37(33(27)21-23)41-19-20-42-38)26-10-6-12-32-30-8-2-4-14-36(30)44-40(26)32;1-3-13-35-27(7-1)31-11-5-9-25(39(31)43-35)23-15-17-29-33(21-23)34-22-24(16-18-30(34)38-37(29)41-19-20-42-38)26-10-6-12-32-28-8-2-4-14-36(28)44-40(26)32;1-2-10-21(11-3-1)22-16-8-17-27-28-18-9-19-29(34(28)37-33(22)27)30-20-35-31-25-14-6-4-12-23(25)24-13-5-7-15-26(24)32(31)36-30/h3*1-22H;1-20H.

What are the key properties of 6,11-di(dibenzofuran-4-yl)phenanthro[9,10-b]pyrazine;6,11-di(dibenzothiophen-4-yl)phenanthro[9,10-b]pyrazine;7,10-di(dibenzothiophen-4-yl)phenanthro[9,10-b]pyrazine;3-(6-phenyldibenzothiophen-4-yl)phenanthro[9,10-b]pyrazine?

6,11-di(dibenzofuran-4-yl)phenanthro[9,10-b]pyrazine;6,11-di(dibenzothiophen-4-yl)phenanthro[9,10-b]pyrazine;7,10-di(dibenzothiophen-4-yl)phenanthro[9,10-b]pyrazine;3-(6-phenyldibenzothiophen-4-yl)phenanthro[9,10-b]pyrazine has a molecular weight of 2240.77 g/mol, XLogP of 44.72, 8 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 6,11-di(dibenzofuran-4-yl)phenanthro[9,10-b]pyrazine;6,11-di(dibenzothiophen-4-yl)phenanthro[9,10-b]pyrazine;7,10-di(dibenzothiophen-4-yl)phenanthro[9,10-b]pyrazine;3-(6-phenyldibenzothiophen-4-yl)phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 158110632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).