6-[2,6-bis(9,9-dimethylacridin-10-yl)carbazol-9-yl]-11-(3-pyridin-3-ylphenyl)phenanthro[9,10-b]pyrazine

C69H50N6 — CID 118912206

About 6-[2,6-bis(9,9-dimethylacridin-10-yl)carbazol-9-yl]-11-(3-pyridin-3-ylphenyl)phenanthro[9,10-b]pyrazine

6-[2,6-bis(9,9-dimethylacridin-10-yl)carbazol-9-yl]-11-(3-pyridin-3-ylphenyl)phenanthro[9,10-b]pyrazine (PubChem CID 118912206) has the molecular formula C69H50N6 and a molecular weight of 963.20 g/mol. Its IUPAC name is 6-[2,6-bis(9,9-dimethylacridin-10-yl)carbazol-9-yl]-11-(3-pyridin-3-ylphenyl)phenanthro[9,10-b]pyrazine.

Molecular Properties

• Compound Name: 6-[2,6-bis(9,9-dimethylacridin-10-yl)carbazol-9-yl]-11-(3-pyridin-3-ylphenyl)phenanthro[9,10-b]pyrazine
• PubChem CID: 118912206
• Molecular Formula: C69H50N6
• Molecular Weight: 963.20 g/mol
• Exact Mass: 962.41
• IUPAC Name: 6-[2,6-bis(9,9-dimethylacridin-10-yl)carbazol-9-yl]-11-(3-pyridin-3-ylphenyl)phenanthro[9,10-b]pyrazine
• SMILES: CC1(C)c2ccccc2N(c2ccc3c(c2)c2ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc2n3-c2ccc3c4ccc(-c5cccc(-c6cccnc6)c5)cc4c4nccnc4c3c2)c2ccccc21
• InChI: InChI=1S/C69H50N6/c1-68(2)56-18-5-9-22-61(56)74(62-23-10-6-19-57(62)68)48-29-33-60-53(39-48)52-32-28-49(75-63-24-11-7-20-58(63)69(3,4)59-21-8-12-25-64(59)75)41-65(52)73(60)47-27-31-51-50-30-26-45(38-54(50)66-67(55(51)40-47)72-36-35-71-66)43-15-13-16-44(37-43)46-17-14-34-70-42-46/h5-42H,1-4H3
• InChIKey: FFKTWDXRPOLVQO-UHFFFAOYSA-N
• XLogP: 17.98
• TPSA: 50.08 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	963.20
LogP ≤ 5	17.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[2,6-bis(9,9-dimethylacridin-10-yl)carbazol-9-yl]-11-(3-pyridin-3-ylphenyl)phenanthro[9,10-b]pyrazine?

The IUPAC name of 6-[2,6-bis(9,9-dimethylacridin-10-yl)carbazol-9-yl]-11-(3-pyridin-3-ylphenyl)phenanthro[9,10-b]pyrazine (CID 118912206) is 6-[2,6-bis(9,9-dimethylacridin-10-yl)carbazol-9-yl]-11-(3-pyridin-3-ylphenyl)phenanthro[9,10-b]pyrazine.

What is the SMILES notation for 6-[2,6-bis(9,9-dimethylacridin-10-yl)carbazol-9-yl]-11-(3-pyridin-3-ylphenyl)phenanthro[9,10-b]pyrazine?

The canonical SMILES for 6-[2,6-bis(9,9-dimethylacridin-10-yl)carbazol-9-yl]-11-(3-pyridin-3-ylphenyl)phenanthro[9,10-b]pyrazine is CC1(C)c2ccccc2N(c2ccc3c(c2)c2ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc2n3-c2ccc3c4ccc(-c5cccc(-c6cccnc6)c5)cc4c4nccnc4c3c2)c2ccccc21.

What is the InChIKey of 6-[2,6-bis(9,9-dimethylacridin-10-yl)carbazol-9-yl]-11-(3-pyridin-3-ylphenyl)phenanthro[9,10-b]pyrazine?

The InChIKey is FFKTWDXRPOLVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H50N6/c1-68(2)56-18-5-9-22-61(56)74(62-23-10-6-19-57(62)68)48-29-33-60-53(39-48)52-32-28-49(75-63-24-11-7-20-58(63)69(3,4)59-21-8-12-25-64(59)75)41-65(52)73(60)47-27-31-51-50-30-26-45(38-54(50)66-67(55(51)40-47)72-36-35-71-66)43-15-13-16-44(37-43)46-17-14-34-70-42-46/h5-42H,1-4H3.

What are the key properties of 6-[2,6-bis(9,9-dimethylacridin-10-yl)carbazol-9-yl]-11-(3-pyridin-3-ylphenyl)phenanthro[9,10-b]pyrazine?

6-[2,6-bis(9,9-dimethylacridin-10-yl)carbazol-9-yl]-11-(3-pyridin-3-ylphenyl)phenanthro[9,10-b]pyrazine has a molecular weight of 963.20 g/mol, XLogP of 17.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2,6-bis(9,9-dimethylacridin-10-yl)carbazol-9-yl]-11-(3-pyridin-3-ylphenyl)phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 118912206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).