9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene

C59H40 — CID 59195394

About 9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene

9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene (PubChem CID 59195394) has the molecular formula C59H40 and a molecular weight of 748.97 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene.

Molecular Properties

• Compound Name: 9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
• PubChem CID: 59195394
• Molecular Formula: C59H40
• Molecular Weight: 748.97 g/mol
• Exact Mass: 748.31
• IUPAC Name: 9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c4ccc(-c5ccc6ccccc6c5)cc34)cc21
• InChI: InChI=1S/C59H40/c1-59(2)53-27-15-14-20-43(53)44-32-31-42(36-54(44)59)56-47-23-10-13-26-50(47)58(51-33-30-41(35-52(51)56)40-29-28-37-16-6-7-19-39(37)34-40)57-48-24-11-8-21-45(48)55(38-17-4-3-5-18-38)46-22-9-12-25-49(46)57/h3-36H,1-2H3
• InChIKey: XXMHPODEISLFNC-UHFFFAOYSA-N
• XLogP: 16.43
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	748.97
LogP ≤ 5	16.43
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-(10-phenylanthracen-9-yl)anthracene?

The IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene (CID 59195394) is 9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene.

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

The canonical SMILES for 9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c4ccc(-c5ccc6ccccc6c5)cc34)cc21.

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

The InChIKey is XXMHPODEISLFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40/c1-59(2)53-27-15-14-20-43(53)44-32-31-42(36-54(44)59)56-47-23-10-13-26-50(47)58(51-33-30-41(35-52(51)56)40-29-28-37-16-6-7-19-39(37)34-40)57-48-24-11-8-21-45(48)55(38-17-4-3-5-18-38)46-22-9-12-25-49(46)57/h3-36H,1-2H3.

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

9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene has a molecular weight of 748.97 g/mol, XLogP of 16.43, 4 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-(10-phenylanthracen-9-yl)anthracene is sourced from PubChem (CID 59195394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).