9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene

C65H44 — CID 59195124

About 9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene

9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene (PubChem CID 59195124) has the molecular formula C65H44 and a molecular weight of 825.07 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene.

Molecular Properties

• Compound Name: 9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
• PubChem CID: 59195124
• Molecular Formula: C65H44
• Molecular Weight: 825.07 g/mol
• Exact Mass: 824.34
• IUPAC Name: 9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)c4ccc(-c5ccc6ccccc6c5)cc34)cc21
• InChI: InChI=1S/C65H44/c1-65(2)59-27-15-14-20-49(59)50-36-35-48(40-60(50)65)64-56-26-13-12-25-55(56)63(57-37-34-47(39-58(57)64)46-33-28-41-16-6-7-19-45(41)38-46)44-31-29-43(30-32-44)62-53-23-10-8-21-51(53)61(42-17-4-3-5-18-42)52-22-9-11-24-54(52)62/h3-40H,1-2H3
• InChIKey: HXXVRGWBHRIGSS-UHFFFAOYSA-N
• XLogP: 18.09
• TPSA: 0.00 Ų
• Rotatable Bonds: 5
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	825.07
LogP ≤ 5	18.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene?

The IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene (CID 59195124) is 9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene.

What is the SMILES notation for 9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene?

The canonical SMILES for 9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)c4ccc(-c5ccc6ccccc6c5)cc34)cc21.

What is the InChIKey of 9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene?

The InChIKey is HXXVRGWBHRIGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H44/c1-65(2)59-27-15-14-20-49(59)50-36-35-48(40-60(50)65)64-56-26-13-12-25-55(56)63(57-37-34-47(39-58(57)64)46-33-28-41-16-6-7-19-45(41)38-46)44-31-29-43(30-32-44)62-53-23-10-8-21-51(53)61(42-17-4-3-5-18-42)52-22-9-11-24-54(52)62/h3-40H,1-2H3.

What are the key properties of 9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene?

9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene has a molecular weight of 825.07 g/mol, XLogP of 18.09, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene is sourced from PubChem (CID 59195124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).