9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(10-naphthalen-1-ylanthracen-9-yl)anthracene

C68H48 — CID 20822239

About 9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(10-naphthalen-1-ylanthracen-9-yl)anthracene

9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(10-naphthalen-1-ylanthracen-9-yl)anthracene (PubChem CID 20822239) has the molecular formula C68H48 and a molecular weight of 865.13 g/mol. Its IUPAC name is 9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(10-naphthalen-1-ylanthracen-9-yl)anthracene.

Molecular Properties

• Compound Name: 9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(10-naphthalen-1-ylanthracen-9-yl)anthracene
• PubChem CID: 20822239
• Molecular Formula: C68H48
• Molecular Weight: 865.13 g/mol
• Exact Mass: 864.38
• IUPAC Name: 9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(10-naphthalen-1-ylanthracen-9-yl)anthracene
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5c6ccccc6c(-c6c7ccccc7c(-c7cccc8ccccc78)c7ccccc67)c6ccccc56)ccc3-4)cc21
• InChI: InChI=1S/C68H48/c1-67(2)59-31-16-15-21-46(59)47-35-32-42(38-60(47)67)43-33-36-48-49-37-34-44(40-62(49)68(3,4)61(48)39-43)63-51-22-7-11-26-55(51)65(56-27-12-8-23-52(56)63)66-57-28-13-9-24-53(57)64(54-25-10-14-29-58(54)66)50-30-17-19-41-18-5-6-20-45(41)50/h5-40H,1-4H3
• InChIKey: DIUQNKUEHXJLBU-UHFFFAOYSA-N
• XLogP: 18.73
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	865.13
LogP ≤ 5	18.73
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-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(10-naphthalen-1-ylanthracen-9-yl)anthracene?

The IUPAC name of 9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(10-naphthalen-1-ylanthracen-9-yl)anthracene (CID 20822239) is 9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(10-naphthalen-1-ylanthracen-9-yl)anthracene.

What is the SMILES notation for 9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(10-naphthalen-1-ylanthracen-9-yl)anthracene?

The canonical SMILES for 9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(10-naphthalen-1-ylanthracen-9-yl)anthracene is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5c6ccccc6c(-c6c7ccccc7c(-c7cccc8ccccc78)c7ccccc67)c6ccccc56)ccc3-4)cc21.

What is the InChIKey of 9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(10-naphthalen-1-ylanthracen-9-yl)anthracene?

The InChIKey is DIUQNKUEHXJLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H48/c1-67(2)59-31-16-15-21-46(59)47-35-32-42(38-60(47)67)43-33-36-48-49-37-34-44(40-62(49)68(3,4)61(48)39-43)63-51-22-7-11-26-55(51)65(56-27-12-8-23-52(56)63)66-57-28-13-9-24-53(57)64(54-25-10-14-29-58(54)66)50-30-17-19-41-18-5-6-20-45(41)50/h5-40H,1-4H3.

What are the key properties of 9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(10-naphthalen-1-ylanthracen-9-yl)anthracene?

9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(10-naphthalen-1-ylanthracen-9-yl)anthracene has a molecular weight of 865.13 g/mol, XLogP of 18.73, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(10-naphthalen-1-ylanthracen-9-yl)anthracene is sourced from PubChem (CID 20822239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).