5-[9-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)-10-(4-naphthalen-1-ylphenyl)anthracen-2-yl]-10-methylphenazine

C71H52N4 — CID 59220680

About 5-[9-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)-10-(4-naphthalen-1-ylphenyl)anthracen-2-yl]-10-methylphenazine

5-[9-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)-10-(4-naphthalen-1-ylphenyl)anthracen-2-yl]-10-methylphenazine (PubChem CID 59220680) has the molecular formula C71H52N4 and a molecular weight of 961.23 g/mol. Its IUPAC name is 5-[9-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)-10-(4-naphthalen-1-ylphenyl)anthracen-2-yl]-10-methylphenazine.

Molecular Properties

• Compound Name: 5-[9-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)-10-(4-naphthalen-1-ylphenyl)anthracen-2-yl]-10-methylphenazine
• PubChem CID: 59220680
• Molecular Formula: C71H52N4
• Molecular Weight: 961.23 g/mol
• Exact Mass: 960.42
• IUPAC Name: 5-[9-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)-10-(4-naphthalen-1-ylphenyl)anthracen-2-yl]-10-methylphenazine
• SMILES: CN1c2ccccc2N(c2ccc3c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(N5c6ccccc6N(C)c6ccccc65)ccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c3c2)c2ccccc21
• InChI: InChI=1S/C71H52N4/c1-71(2)59-23-8-7-21-53(59)54-39-36-48(42-60(54)71)70-56-41-38-49(74-65-28-13-9-24-61(65)72(3)62-25-10-14-29-66(62)74)43-57(56)69(47-34-32-46(33-35-47)52-22-17-19-45-18-5-6-20-51(45)52)55-40-37-50(44-58(55)70)75-67-30-15-11-26-63(67)73(4)64-27-12-16-31-68(64)75/h5-44H,1-4H3
• InChIKey: XEZVMONRWRKWRP-UHFFFAOYSA-N
• XLogP: 19.56
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	961.23
LogP ≤ 5	19.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[9-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)-10-(4-naphthalen-1-ylphenyl)anthracen-2-yl]-10-methylphenazine?

The IUPAC name of 5-[9-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)-10-(4-naphthalen-1-ylphenyl)anthracen-2-yl]-10-methylphenazine (CID 59220680) is 5-[9-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)-10-(4-naphthalen-1-ylphenyl)anthracen-2-yl]-10-methylphenazine.

What is the SMILES notation for 5-[9-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)-10-(4-naphthalen-1-ylphenyl)anthracen-2-yl]-10-methylphenazine?

The canonical SMILES for 5-[9-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)-10-(4-naphthalen-1-ylphenyl)anthracen-2-yl]-10-methylphenazine is CN1c2ccccc2N(c2ccc3c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(N5c6ccccc6N(C)c6ccccc65)ccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c3c2)c2ccccc21.

What is the InChIKey of 5-[9-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)-10-(4-naphthalen-1-ylphenyl)anthracen-2-yl]-10-methylphenazine?

The InChIKey is XEZVMONRWRKWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H52N4/c1-71(2)59-23-8-7-21-53(59)54-39-36-48(42-60(54)71)70-56-41-38-49(74-65-28-13-9-24-61(65)72(3)62-25-10-14-29-66(62)74)43-57(56)69(47-34-32-46(33-35-47)52-22-17-19-45-18-5-6-20-51(45)52)55-40-37-50(44-58(55)70)75-67-30-15-11-26-63(67)73(4)64-27-12-16-31-68(64)75/h5-44H,1-4H3.

What are the key properties of 5-[9-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)-10-(4-naphthalen-1-ylphenyl)anthracen-2-yl]-10-methylphenazine?

5-[9-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)-10-(4-naphthalen-1-ylphenyl)anthracen-2-yl]-10-methylphenazine has a molecular weight of 961.23 g/mol, XLogP of 19.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[9-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)-10-(4-naphthalen-1-ylphenyl)anthracen-2-yl]-10-methylphenazine is sourced from PubChem (CID 59220680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).