10-(3-carbazol-9-ylphenyl)-2,3-dimethylphenanthro[9,10-b]pyrazine;7-(3-carbazol-9-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine;10-(3-carbazol-9-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine

C116H75N9 — CID 160827133

About 10-(3-carbazol-9-ylphenyl)-2,3-dimethylphenanthro[9,10-b]pyrazine;7-(3-carbazol-9-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine;10-(3-carbazol-9-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine

10-(3-carbazol-9-ylphenyl)-2,3-dimethylphenanthro[9,10-b]pyrazine;7-(3-carbazol-9-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine;10-(3-carbazol-9-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine (PubChem CID 160827133) has the molecular formula C116H75N9 and a molecular weight of 1594.94 g/mol. Its IUPAC name is 10-(3-carbazol-9-ylphenyl)-2,3-dimethylphenanthro[9,10-b]pyrazine;7-(3-carbazol-9-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine;10-(3-carbazol-9-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine.

Molecular Properties

• Compound Name: 10-(3-carbazol-9-ylphenyl)-2,3-dimethylphenanthro[9,10-b]pyrazine;7-(3-carbazol-9-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine;10-(3-carbazol-9-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine
• PubChem CID: 160827133
• Molecular Formula: C116H75N9
• Molecular Weight: 1594.94 g/mol
• Exact Mass: 1593.61
• IUPAC Name: 10-(3-carbazol-9-ylphenyl)-2,3-dimethylphenanthro[9,10-b]pyrazine;7-(3-carbazol-9-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine;10-(3-carbazol-9-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine
• SMILES: Cc1nc2c3ccccc3c3cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)ccc3c2nc1C.c1ccc(-c2cnc3c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4c4ccccc4c3n2)cc1.c1ccc(-c2cnc3c4ccccc4c4cc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)ccc4c3n2)cc1
• InChI: InChI=1S/2C40H25N3.C36H25N3/c1-2-11-26(12-3-1)36-25-41-39-34-22-21-28(24-35(34)30-15-4-5-18-33(30)40(39)42-36)27-13-10-14-29(23-27)43-37-19-8-6-16-31(37)32-17-7-9-20-38(32)43;1-2-11-26(12-3-1)36-25-41-39-33-18-5-4-15-30(33)35-24-28(21-22-34(35)40(39)42-36)27-13-10-14-29(23-27)43-37-19-8-6-16-31(37)32-17-7-9-20-38(32)43;1-22-23(2)38-36-31-19-18-25(21-32(31)27-12-3-4-15-30(27)35(36)37-22)24-10-9-11-26(20-24)39-33-16-7-5-13-28(33)29-14-6-8-17-34(29)39/h2*1-25H;3-21H,1-2H3
• InChIKey: SGICWOMZKQJGHL-UHFFFAOYSA-N
• XLogP: 30.05
• TPSA: 92.13 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1594.94
LogP ≤ 5	30.05
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 10-(3-carbazol-9-ylphenyl)-2,3-dimethylphenanthro[9,10-b]pyrazine;7-(3-carbazol-9-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine;10-(3-carbazol-9-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine?

The IUPAC name of 10-(3-carbazol-9-ylphenyl)-2,3-dimethylphenanthro[9,10-b]pyrazine;7-(3-carbazol-9-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine;10-(3-carbazol-9-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine (CID 160827133) is 10-(3-carbazol-9-ylphenyl)-2,3-dimethylphenanthro[9,10-b]pyrazine;7-(3-carbazol-9-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine;10-(3-carbazol-9-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine.

What is the SMILES notation for 10-(3-carbazol-9-ylphenyl)-2,3-dimethylphenanthro[9,10-b]pyrazine;7-(3-carbazol-9-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine;10-(3-carbazol-9-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine?

The canonical SMILES for 10-(3-carbazol-9-ylphenyl)-2,3-dimethylphenanthro[9,10-b]pyrazine;7-(3-carbazol-9-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine;10-(3-carbazol-9-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine is Cc1nc2c3ccccc3c3cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)ccc3c2nc1C.c1ccc(-c2cnc3c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4c4ccccc4c3n2)cc1.c1ccc(-c2cnc3c4ccccc4c4cc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)ccc4c3n2)cc1.

What is the InChIKey of 10-(3-carbazol-9-ylphenyl)-2,3-dimethylphenanthro[9,10-b]pyrazine;7-(3-carbazol-9-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine;10-(3-carbazol-9-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine?

The InChIKey is SGICWOMZKQJGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C40H25N3.C36H25N3/c1-2-11-26(12-3-1)36-25-41-39-34-22-21-28(24-35(34)30-15-4-5-18-33(30)40(39)42-36)27-13-10-14-29(23-27)43-37-19-8-6-16-31(37)32-17-7-9-20-38(32)43;1-2-11-26(12-3-1)36-25-41-39-33-18-5-4-15-30(33)35-24-28(21-22-34(35)40(39)42-36)27-13-10-14-29(23-27)43-37-19-8-6-16-31(37)32-17-7-9-20-38(32)43;1-22-23(2)38-36-31-19-18-25(21-32(31)27-12-3-4-15-30(27)35(36)37-22)24-10-9-11-26(20-24)39-33-16-7-5-13-28(33)29-14-6-8-17-34(29)39/h2*1-25H;3-21H,1-2H3.

What are the key properties of 10-(3-carbazol-9-ylphenyl)-2,3-dimethylphenanthro[9,10-b]pyrazine;7-(3-carbazol-9-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine;10-(3-carbazol-9-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine?

10-(3-carbazol-9-ylphenyl)-2,3-dimethylphenanthro[9,10-b]pyrazine;7-(3-carbazol-9-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine;10-(3-carbazol-9-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine has a molecular weight of 1594.94 g/mol, XLogP of 30.05, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(3-carbazol-9-ylphenyl)-2,3-dimethylphenanthro[9,10-b]pyrazine;7-(3-carbazol-9-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine;10-(3-carbazol-9-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine is sourced from PubChem (CID 160827133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).