7-[3-(4-carbazol-9-ylphenyl)phenyl]-6-isocyano-2,3-diphenylpyrazino[2,3-k]phenanthridine;6-isocyano-2,3-diphenyl-7-(3-triphenylen-2-ylphenyl)pyrazino[2,3-k]phenanthridine

C104H61N9 — CID 165016104

About 7-[3-(4-carbazol-9-ylphenyl)phenyl]-6-isocyano-2,3-diphenylpyrazino[2,3-k]phenanthridine;6-isocyano-2,3-diphenyl-7-(3-triphenylen-2-ylphenyl)pyrazino[2,3-k]phenanthridine

7-[3-(4-carbazol-9-ylphenyl)phenyl]-6-isocyano-2,3-diphenylpyrazino[2,3-k]phenanthridine;6-isocyano-2,3-diphenyl-7-(3-triphenylen-2-ylphenyl)pyrazino[2,3-k]phenanthridine (PubChem CID 165016104) has the molecular formula C104H61N9 and a molecular weight of 1436.69 g/mol. Its IUPAC name is 7-[3-(4-carbazol-9-ylphenyl)phenyl]-6-isocyano-2,3-diphenylpyrazino[2,3-k]phenanthridine;6-isocyano-2,3-diphenyl-7-(3-triphenylen-2-ylphenyl)pyrazino[2,3-k]phenanthridine.

Molecular Properties

• Compound Name: 7-[3-(4-carbazol-9-ylphenyl)phenyl]-6-isocyano-2,3-diphenylpyrazino[2,3-k]phenanthridine;6-isocyano-2,3-diphenyl-7-(3-triphenylen-2-ylphenyl)pyrazino[2,3-k]phenanthridine
• PubChem CID: 165016104
• Molecular Formula: C104H61N9
• Molecular Weight: 1436.69 g/mol
• Exact Mass: 1435.50
• IUPAC Name: 7-[3-(4-carbazol-9-ylphenyl)phenyl]-6-isocyano-2,3-diphenylpyrazino[2,3-k]phenanthridine;6-isocyano-2,3-diphenyl-7-(3-triphenylen-2-ylphenyl)pyrazino[2,3-k]phenanthridine
• SMILES: [C-]#[N+]c1cc2nc(-c3ccccc3)c(-c3ccccc3)nc2c2c1c(-c1cccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c1)nc1ccccc12.[C-]#[N+]c1cc2nc(-c3ccccc3)c(-c3ccccc3)nc2c2c1c(-c1cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c1)nc1ccccc12
• InChI: InChI=1S/C52H31N5.C52H30N4/c1-53-43-32-44-52(56-51(35-17-6-3-7-18-35)50(55-44)34-15-4-2-5-16-34)47-41-23-8-11-24-42(41)54-49(48(43)47)37-20-14-19-36(31-37)33-27-29-38(30-28-33)57-45-25-12-9-21-39(45)40-22-10-13-26-46(40)57;1-53-45-31-46-52(56-51(33-17-6-3-7-18-33)50(55-46)32-15-4-2-5-16-32)47-42-25-12-13-26-44(42)54-49(48(45)47)36-20-14-19-34(29-36)35-27-28-41-39-23-9-8-21-37(39)38-22-10-11-24-40(38)43(41)30-35/h2-32H;2-31H
• InChIKey: KLEYMZHBWIIDHY-UHFFFAOYSA-N
• XLogP: 27.66
• TPSA: 90.99 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1436.69
LogP ≤ 5	27.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[3-(4-carbazol-9-ylphenyl)phenyl]-6-isocyano-2,3-diphenylpyrazino[2,3-k]phenanthridine;6-isocyano-2,3-diphenyl-7-(3-triphenylen-2-ylphenyl)pyrazino[2,3-k]phenanthridine?

The IUPAC name of 7-[3-(4-carbazol-9-ylphenyl)phenyl]-6-isocyano-2,3-diphenylpyrazino[2,3-k]phenanthridine;6-isocyano-2,3-diphenyl-7-(3-triphenylen-2-ylphenyl)pyrazino[2,3-k]phenanthridine (CID 165016104) is 7-[3-(4-carbazol-9-ylphenyl)phenyl]-6-isocyano-2,3-diphenylpyrazino[2,3-k]phenanthridine;6-isocyano-2,3-diphenyl-7-(3-triphenylen-2-ylphenyl)pyrazino[2,3-k]phenanthridine.

What is the SMILES notation for 7-[3-(4-carbazol-9-ylphenyl)phenyl]-6-isocyano-2,3-diphenylpyrazino[2,3-k]phenanthridine;6-isocyano-2,3-diphenyl-7-(3-triphenylen-2-ylphenyl)pyrazino[2,3-k]phenanthridine?

The canonical SMILES for 7-[3-(4-carbazol-9-ylphenyl)phenyl]-6-isocyano-2,3-diphenylpyrazino[2,3-k]phenanthridine;6-isocyano-2,3-diphenyl-7-(3-triphenylen-2-ylphenyl)pyrazino[2,3-k]phenanthridine is [C-]#[N+]c1cc2nc(-c3ccccc3)c(-c3ccccc3)nc2c2c1c(-c1cccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c1)nc1ccccc12.[C-]#[N+]c1cc2nc(-c3ccccc3)c(-c3ccccc3)nc2c2c1c(-c1cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c1)nc1ccccc12.

What is the InChIKey of 7-[3-(4-carbazol-9-ylphenyl)phenyl]-6-isocyano-2,3-diphenylpyrazino[2,3-k]phenanthridine;6-isocyano-2,3-diphenyl-7-(3-triphenylen-2-ylphenyl)pyrazino[2,3-k]phenanthridine?

The InChIKey is KLEYMZHBWIIDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N5.C52H30N4/c1-53-43-32-44-52(56-51(35-17-6-3-7-18-35)50(55-44)34-15-4-2-5-16-34)47-41-23-8-11-24-42(41)54-49(48(43)47)37-20-14-19-36(31-37)33-27-29-38(30-28-33)57-45-25-12-9-21-39(45)40-22-10-13-26-46(40)57;1-53-45-31-46-52(56-51(33-17-6-3-7-18-33)50(55-46)32-15-4-2-5-16-32)47-42-25-12-13-26-44(42)54-49(48(45)47)36-20-14-19-34(29-36)35-27-28-41-39-23-9-8-21-37(39)38-22-10-11-24-40(38)43(41)30-35/h2-32H;2-31H.

What are the key properties of 7-[3-(4-carbazol-9-ylphenyl)phenyl]-6-isocyano-2,3-diphenylpyrazino[2,3-k]phenanthridine;6-isocyano-2,3-diphenyl-7-(3-triphenylen-2-ylphenyl)pyrazino[2,3-k]phenanthridine?

7-[3-(4-carbazol-9-ylphenyl)phenyl]-6-isocyano-2,3-diphenylpyrazino[2,3-k]phenanthridine;6-isocyano-2,3-diphenyl-7-(3-triphenylen-2-ylphenyl)pyrazino[2,3-k]phenanthridine has a molecular weight of 1436.69 g/mol, XLogP of 27.66, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-(4-carbazol-9-ylphenyl)phenyl]-6-isocyano-2,3-diphenylpyrazino[2,3-k]phenanthridine;6-isocyano-2,3-diphenyl-7-(3-triphenylen-2-ylphenyl)pyrazino[2,3-k]phenanthridine is sourced from PubChem (CID 165016104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).