9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-[9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]anthracen-9-yl]anthracene

C97H68 — CID 20822351

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

9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-[9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]anthracen-9-yl]anthracene (PubChem CID 20822351) has the molecular formula C97H68 and a molecular weight of 1233.61 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-[9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]anthracen-9-yl]anthracene.

Molecular Properties

• Compound Name: 9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-[9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]anthracen-9-yl]anthracene
• PubChem CID: 20822351
• Molecular Formula: C97H68
• Molecular Weight: 1233.61 g/mol
• Exact Mass: 1232.53
• IUPAC Name: 9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-[9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]anthracen-9-yl]anthracene
• SMILES: CC1(C)c2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5c6ccccc6c(-c6c7ccccc7c(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)c7ccccc67)c6ccccc56)ccc3-4)ccc2-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc21
• InChI: InChI=1S/C97H68/c1-95(2)83-38-22-21-25-65(83)66-48-43-62(54-86(66)95)91-75-30-13-17-34-79(75)93(80-35-18-14-31-76(80)91)94-81-36-19-15-32-77(81)92(78-33-16-20-37-82(78)94)64-45-50-70-68-47-42-60(53-85(68)97(5,6)88(70)56-64)59-41-46-67-69-49-44-63(55-87(69)96(3,4)84(67)52-59)90-73-28-11-9-26-71(73)89(72-27-10-12-29-74(72)90)61-40-39-57-23-7-8-24-58(57)51-61/h7-56H,1-6H3
• InChIKey: WZDYABZAYXROHE-UHFFFAOYSA-N
• XLogP: 26.68
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1233.61
LogP ≤ 5	26.68
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)-10-[10-[7-[9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]anthracen-9-yl]anthracene?

The IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-[9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]anthracen-9-yl]anthracene (CID 20822351) is 9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-[9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]anthracen-9-yl]anthracene.

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

The canonical SMILES for 9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-[9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]anthracen-9-yl]anthracene is CC1(C)c2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5c6ccccc6c(-c6c7ccccc7c(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)c7ccccc67)c6ccccc56)ccc3-4)ccc2-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc21.

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

The InChIKey is WZDYABZAYXROHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C97H68/c1-95(2)83-38-22-21-25-65(83)66-48-43-62(54-86(66)95)91-75-30-13-17-34-79(75)93(80-35-18-14-31-76(80)91)94-81-36-19-15-32-77(81)92(78-33-16-20-37-82(78)94)64-45-50-70-68-47-42-60(53-85(68)97(5,6)88(70)56-64)59-41-46-67-69-49-44-63(55-87(69)96(3,4)84(67)52-59)90-73-28-11-9-26-71(73)89(72-27-10-12-29-74(72)90)61-40-39-57-23-7-8-24-58(57)51-61/h7-56H,1-6H3.

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

9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-[9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]anthracen-9-yl]anthracene has a molecular weight of 1233.61 g/mol, XLogP of 26.68, 6 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)-10-[10-[7-[9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]anthracen-9-yl]anthracene is sourced from PubChem (CID 20822351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).