5-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-10-methylphenazine

C57H44N2 — CID 59195441

About 5-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-10-methylphenazine

5-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-10-methylphenazine (PubChem CID 59195441) has the molecular formula C57H44N2 and a molecular weight of 756.99 g/mol. Its IUPAC name is 5-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-10-methylphenazine.

Molecular Properties

• Compound Name: 5-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-10-methylphenazine
• PubChem CID: 59195441
• Molecular Formula: C57H44N2
• Molecular Weight: 756.99 g/mol
• Exact Mass: 756.35
• IUPAC Name: 5-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-10-methylphenazine
• SMILES: CN1c2ccccc2N(c2c3ccccc3c(-c3ccc4c(c3)-c3ccccc3C4(C)C)c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)ccc23)c2ccccc21
• InChI: InChI=1S/C57H44N2/c1-56(2)47-21-11-9-17-39(47)44-33-37(28-31-48(44)56)54-41-18-6-7-19-42(41)55(59-52-24-14-12-22-50(52)58(5)51-23-13-15-25-53(51)59)43-30-27-35(32-45(43)54)36-26-29-40-38-16-8-10-20-46(38)57(3,4)49(40)34-36/h6-34H,1-5H3
• InChIKey: YCWHYYSFSDUTNI-UHFFFAOYSA-N
• XLogP: 15.49
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	756.99
LogP ≤ 5	15.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-10-methylphenazine?

The IUPAC name of 5-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-10-methylphenazine (CID 59195441) is 5-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-10-methylphenazine.

What is the SMILES notation for 5-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-10-methylphenazine?

The canonical SMILES for 5-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-10-methylphenazine is CN1c2ccccc2N(c2c3ccccc3c(-c3ccc4c(c3)-c3ccccc3C4(C)C)c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)ccc23)c2ccccc21.

What is the InChIKey of 5-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-10-methylphenazine?

The InChIKey is YCWHYYSFSDUTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H44N2/c1-56(2)47-21-11-9-17-39(47)44-33-37(28-31-48(44)56)54-41-18-6-7-19-42(41)55(59-52-24-14-12-22-50(52)58(5)51-23-13-15-25-53(51)59)43-30-27-35(32-45(43)54)36-26-29-40-38-16-8-10-20-46(38)57(3,4)49(40)34-36/h6-34H,1-5H3.

What are the key properties of 5-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-10-methylphenazine?

5-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-10-methylphenazine has a molecular weight of 756.99 g/mol, XLogP of 15.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-10-methylphenazine is sourced from PubChem (CID 59195441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).