3-(3-dibenzofuran-4-ylphenyl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)phenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-7,10-dimethylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine

C232H144N12O2S4 — CID 158588044

About 3-(3-dibenzofuran-4-ylphenyl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)phenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-7,10-dimethylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine

3-(3-dibenzofuran-4-ylphenyl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)phenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-7,10-dimethylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine (PubChem CID 158588044) has the molecular formula C232H144N12O2S4 and a molecular weight of 3260.05 g/mol. Its IUPAC name is 3-(3-dibenzofuran-4-ylphenyl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)phenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-7,10-dimethylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine.

Molecular Properties

• Compound Name: 3-(3-dibenzofuran-4-ylphenyl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)phenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-7,10-dimethylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine
• PubChem CID: 158588044
• Molecular Formula: C232H144N12O2S4
• Molecular Weight: 3260.05 g/mol
• Exact Mass: 3257.04
• IUPAC Name: 3-(3-dibenzofuran-4-ylphenyl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)phenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-7,10-dimethylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine
• SMILES: Cc1ccc2c(c1)c1cc(C)ccc1c1nc(-c3ccccc3-c3cccc4c3sc3ccccc34)cnc21.Cc1ccc2c3ccc(C)cc3c3nc(-c4ccccc4-c4cccc5c4sc4ccccc45)cnc3c2c1.c1cc(-c2cnc3c4ccccc4c4ccccc4c3n2)cc(-c2cccc3c2oc2ccccc23)c1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2c2nc(-c4ccccc4-c4cccc5c4sc4ccccc45)cnc32)cc1.c1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4c4nc(-c5ccccc5-c5cccc6c5sc5ccccc56)cnc4c3c2)cc1.c1ccc2c(c1)oc1c(-c3ccc(-c4cnc5c6ccccc6c6ccccc6c5n4)cc3)cccc12
• InChI: InChI=1S/2C46H28N2S.2C36H24N2S.2C34H20N2O/c1-3-12-29(13-4-1)31-22-24-34-35-25-23-32(30-14-5-2-6-15-30)27-41(35)45-44(40(34)26-31)47-28-42(48-45)36-17-8-7-16-33(36)38-19-11-20-39-37-18-9-10-21-43(37)49-46(38)39;1-3-12-29(13-4-1)31-22-24-36-40(26-31)41-27-32(30-14-5-2-6-15-30)23-25-37(41)45-44(36)47-28-42(48-45)34-17-8-7-16-33(34)38-19-11-20-39-35-18-9-10-21-43(35)49-46(38)39;1-21-14-16-24-25-17-15-22(2)19-31(25)35-34(30(24)18-21)37-20-32(38-35)26-9-4-3-8-23(26)28-11-7-12-29-27-10-5-6-13-33(27)39-36(28)29;1-21-14-16-26-30(18-21)31-19-22(2)15-17-27(31)35-34(26)37-20-32(38-35)24-9-4-3-8-23(24)28-11-7-12-29-25-10-5-6-13-33(25)39-36(28)29;1-3-14-27-24(11-1)25-12-2-4-15-28(25)33-32(27)35-20-30(36-33)22-10-7-9-21(19-22)23-16-8-17-29-26-13-5-6-18-31(26)37-34(23)29;1-3-11-27-24(8-1)25-9-2-4-12-28(25)33-32(27)35-20-30(36-33)22-18-16-21(17-19-22)23-13-7-14-29-26-10-5-6-15-31(26)37-34(23)29/h2*1-28H;2*3-20H,1-2H3;2*1-20H
• InChIKey: HUBREPQTHSHYNU-UHFFFAOYSA-N
• XLogP: 64.79
• TPSA: 180.96 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 250
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3260.05
LogP ≤ 5	64.79
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 3-(3-dibenzofuran-4-ylphenyl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)phenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-7,10-dimethylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine?

The IUPAC name of 3-(3-dibenzofuran-4-ylphenyl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)phenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-7,10-dimethylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine (CID 158588044) is 3-(3-dibenzofuran-4-ylphenyl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)phenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-7,10-dimethylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine.

What is the SMILES notation for 3-(3-dibenzofuran-4-ylphenyl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)phenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-7,10-dimethylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine?

The canonical SMILES for 3-(3-dibenzofuran-4-ylphenyl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)phenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-7,10-dimethylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine is Cc1ccc2c(c1)c1cc(C)ccc1c1nc(-c3ccccc3-c3cccc4c3sc3ccccc34)cnc21.Cc1ccc2c3ccc(C)cc3c3nc(-c4ccccc4-c4cccc5c4sc4ccccc45)cnc3c2c1.c1cc(-c2cnc3c4ccccc4c4ccccc4c3n2)cc(-c2cccc3c2oc2ccccc23)c1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2c2nc(-c4ccccc4-c4cccc5c4sc4ccccc45)cnc32)cc1.c1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4c4nc(-c5ccccc5-c5cccc6c5sc5ccccc56)cnc4c3c2)cc1.c1ccc2c(c1)oc1c(-c3ccc(-c4cnc5c6ccccc6c6ccccc6c5n4)cc3)cccc12.

What is the InChIKey of 3-(3-dibenzofuran-4-ylphenyl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)phenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-7,10-dimethylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine?

The InChIKey is HUBREPQTHSHYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C46H28N2S.2C36H24N2S.2C34H20N2O/c1-3-12-29(13-4-1)31-22-24-34-35-25-23-32(30-14-5-2-6-15-30)27-41(35)45-44(40(34)26-31)47-28-42(48-45)36-17-8-7-16-33(36)38-19-11-20-39-37-18-9-10-21-43(37)49-46(38)39;1-3-12-29(13-4-1)31-22-24-36-40(26-31)41-27-32(30-14-5-2-6-15-30)23-25-37(41)45-44(36)47-28-42(48-45)34-17-8-7-16-33(34)38-19-11-20-39-35-18-9-10-21-43(35)49-46(38)39;1-21-14-16-24-25-17-15-22(2)19-31(25)35-34(30(24)18-21)37-20-32(38-35)26-9-4-3-8-23(26)28-11-7-12-29-27-10-5-6-13-33(27)39-36(28)29;1-21-14-16-26-30(18-21)31-19-22(2)15-17-27(31)35-34(26)37-20-32(38-35)24-9-4-3-8-23(24)28-11-7-12-29-25-10-5-6-13-33(25)39-36(28)29;1-3-14-27-24(11-1)25-12-2-4-15-28(25)33-32(27)35-20-30(36-33)22-10-7-9-21(19-22)23-16-8-17-29-26-13-5-6-18-31(26)37-34(23)29;1-3-11-27-24(8-1)25-9-2-4-12-28(25)33-32(27)35-20-30(36-33)22-18-16-21(17-19-22)23-13-7-14-29-26-10-5-6-15-31(26)37-34(23)29/h2*1-28H;2*3-20H,1-2H3;2*1-20H.

What are the key properties of 3-(3-dibenzofuran-4-ylphenyl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)phenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-7,10-dimethylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine?

3-(3-dibenzofuran-4-ylphenyl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)phenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-7,10-dimethylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine has a molecular weight of 3260.05 g/mol, XLogP of 64.79, 16 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-dibenzofuran-4-ylphenyl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)phenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-7,10-dimethylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine is sourced from PubChem (CID 158588044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).