7-(3-dibenzothiophen-2-ylphenyl)-3-methylphenanthro[9,10-b]pyrazine;10-[2-(4,6-dimethyldibenzothiophen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[2-(4,6,8-trimethyldibenzothiophen-2-yl)phenyl]phenanthro[9,10-b]pyrazine

C108H72N6S3 — CID 160795204

About 7-(3-dibenzothiophen-2-ylphenyl)-3-methylphenanthro[9,10-b]pyrazine;10-[2-(4,6-dimethyldibenzothiophen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[2-(4,6,8-trimethyldibenzothiophen-2-yl)phenyl]phenanthro[9,10-b]pyrazine

7-(3-dibenzothiophen-2-ylphenyl)-3-methylphenanthro[9,10-b]pyrazine;10-[2-(4,6-dimethyldibenzothiophen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[2-(4,6,8-trimethyldibenzothiophen-2-yl)phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 160795204) has the molecular formula C108H72N6S3 and a molecular weight of 1550.01 g/mol. Its IUPAC name is 7-(3-dibenzothiophen-2-ylphenyl)-3-methylphenanthro[9,10-b]pyrazine;10-[2-(4,6-dimethyldibenzothiophen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[2-(4,6,8-trimethyldibenzothiophen-2-yl)phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

• Compound Name: 7-(3-dibenzothiophen-2-ylphenyl)-3-methylphenanthro[9,10-b]pyrazine;10-[2-(4,6-dimethyldibenzothiophen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[2-(4,6,8-trimethyldibenzothiophen-2-yl)phenyl]phenanthro[9,10-b]pyrazine
• PubChem CID: 160795204
• Molecular Formula: C108H72N6S3
• Molecular Weight: 1550.01 g/mol
• Exact Mass: 1548.50
• IUPAC Name: 7-(3-dibenzothiophen-2-ylphenyl)-3-methylphenanthro[9,10-b]pyrazine;10-[2-(4,6-dimethyldibenzothiophen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[2-(4,6,8-trimethyldibenzothiophen-2-yl)phenyl]phenanthro[9,10-b]pyrazine
• SMILES: Cc1cc(C)c2sc3c(C)cc(-c4ccccc4-c4ccc5c(c4)c4ccccc4c4nccnc54)cc3c2c1.Cc1cccc2c1sc1c(C)cc(-c3ccccc3-c3ccc4c(c3)c3ccccc3c3nccnc43)cc12.Cc1cnc2c3ccccc3c3cc(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)ccc3c2n1
• InChI: InChI=1S/C37H26N2S.C36H24N2S.C35H22N2S/c1-21-16-22(2)36-32(17-21)33-20-25(18-23(3)37(33)40-36)27-9-5-4-8-26(27)24-12-13-30-31(19-24)28-10-6-7-11-29(28)34-35(30)39-15-14-38-34;1-21-8-7-13-30-32-20-24(18-22(2)36(32)39-35(21)30)26-10-4-3-9-25(26)23-14-15-29-31(19-23)27-11-5-6-12-28(27)33-34(29)38-17-16-37-33;1-21-20-36-34-28-11-3-2-9-26(28)30-18-24(13-15-29(30)35(34)37-21)22-7-6-8-23(17-22)25-14-16-33-31(19-25)27-10-4-5-12-32(27)38-33/h4-20H,1-3H3;3-20H,1-2H3;2-20H,1H3
• InChIKey: SCITWGDHZXOWGW-UHFFFAOYSA-N
• XLogP: 30.76
• TPSA: 77.34 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1550.01
LogP ≤ 5	30.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(3-dibenzothiophen-2-ylphenyl)-3-methylphenanthro[9,10-b]pyrazine;10-[2-(4,6-dimethyldibenzothiophen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[2-(4,6,8-trimethyldibenzothiophen-2-yl)phenyl]phenanthro[9,10-b]pyrazine?

The IUPAC name of 7-(3-dibenzothiophen-2-ylphenyl)-3-methylphenanthro[9,10-b]pyrazine;10-[2-(4,6-dimethyldibenzothiophen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[2-(4,6,8-trimethyldibenzothiophen-2-yl)phenyl]phenanthro[9,10-b]pyrazine (CID 160795204) is 7-(3-dibenzothiophen-2-ylphenyl)-3-methylphenanthro[9,10-b]pyrazine;10-[2-(4,6-dimethyldibenzothiophen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[2-(4,6,8-trimethyldibenzothiophen-2-yl)phenyl]phenanthro[9,10-b]pyrazine.

What is the SMILES notation for 7-(3-dibenzothiophen-2-ylphenyl)-3-methylphenanthro[9,10-b]pyrazine;10-[2-(4,6-dimethyldibenzothiophen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[2-(4,6,8-trimethyldibenzothiophen-2-yl)phenyl]phenanthro[9,10-b]pyrazine?

The canonical SMILES for 7-(3-dibenzothiophen-2-ylphenyl)-3-methylphenanthro[9,10-b]pyrazine;10-[2-(4,6-dimethyldibenzothiophen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[2-(4,6,8-trimethyldibenzothiophen-2-yl)phenyl]phenanthro[9,10-b]pyrazine is Cc1cc(C)c2sc3c(C)cc(-c4ccccc4-c4ccc5c(c4)c4ccccc4c4nccnc54)cc3c2c1.Cc1cccc2c1sc1c(C)cc(-c3ccccc3-c3ccc4c(c3)c3ccccc3c3nccnc43)cc12.Cc1cnc2c3ccccc3c3cc(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)ccc3c2n1.

What is the InChIKey of 7-(3-dibenzothiophen-2-ylphenyl)-3-methylphenanthro[9,10-b]pyrazine;10-[2-(4,6-dimethyldibenzothiophen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[2-(4,6,8-trimethyldibenzothiophen-2-yl)phenyl]phenanthro[9,10-b]pyrazine?

The InChIKey is SCITWGDHZXOWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N2S.C36H24N2S.C35H22N2S/c1-21-16-22(2)36-32(17-21)33-20-25(18-23(3)37(33)40-36)27-9-5-4-8-26(27)24-12-13-30-31(19-24)28-10-6-7-11-29(28)34-35(30)39-15-14-38-34;1-21-8-7-13-30-32-20-24(18-22(2)36(32)39-35(21)30)26-10-4-3-9-25(26)23-14-15-29-31(19-23)27-11-5-6-12-28(27)33-34(29)38-17-16-37-33;1-21-20-36-34-28-11-3-2-9-26(28)30-18-24(13-15-29(30)35(34)37-21)22-7-6-8-23(17-22)25-14-16-33-31(19-25)27-10-4-5-12-32(27)38-33/h4-20H,1-3H3;3-20H,1-2H3;2-20H,1H3.

What are the key properties of 7-(3-dibenzothiophen-2-ylphenyl)-3-methylphenanthro[9,10-b]pyrazine;10-[2-(4,6-dimethyldibenzothiophen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[2-(4,6,8-trimethyldibenzothiophen-2-yl)phenyl]phenanthro[9,10-b]pyrazine?

7-(3-dibenzothiophen-2-ylphenyl)-3-methylphenanthro[9,10-b]pyrazine;10-[2-(4,6-dimethyldibenzothiophen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[2-(4,6,8-trimethyldibenzothiophen-2-yl)phenyl]phenanthro[9,10-b]pyrazine has a molecular weight of 1550.01 g/mol, XLogP of 30.76, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3-dibenzothiophen-2-ylphenyl)-3-methylphenanthro[9,10-b]pyrazine;10-[2-(4,6-dimethyldibenzothiophen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[2-(4,6,8-trimethyldibenzothiophen-2-yl)phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 160795204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).