9-(9,9-dimethylfluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)anthracene;9-(9,9-dimethylfluoren-2-yl)-10-(9-ethyl-9-phenylfluoren-2-yl)anthracene

C104H76 — CID 90688041

About 9-(9,9-dimethylfluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)anthracene;9-(9,9-dimethylfluoren-2-yl)-10-(9-ethyl-9-phenylfluoren-2-yl)anthracene

9-(9,9-dimethylfluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)anthracene;9-(9,9-dimethylfluoren-2-yl)-10-(9-ethyl-9-phenylfluoren-2-yl)anthracene (PubChem CID 90688041) has the molecular formula C104H76 and a molecular weight of 1325.75 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)anthracene;9-(9,9-dimethylfluoren-2-yl)-10-(9-ethyl-9-phenylfluoren-2-yl)anthracene.

Molecular Properties

• Compound Name: 9-(9,9-dimethylfluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)anthracene;9-(9,9-dimethylfluoren-2-yl)-10-(9-ethyl-9-phenylfluoren-2-yl)anthracene
• PubChem CID: 90688041
• Molecular Formula: C104H76
• Molecular Weight: 1325.75 g/mol
• Exact Mass: 1324.59
• IUPAC Name: 9-(9,9-dimethylfluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)anthracene;9-(9,9-dimethylfluoren-2-yl)-10-(9-ethyl-9-phenylfluoren-2-yl)anthracene
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4ccccc34)cc21.CCC1(c2ccccc2)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc34)cc21
• InChI: InChI=1S/C54H38.C50H38/c1-53(2)47-27-15-13-21-39(47)41-31-29-35(33-49(41)53)51-43-23-9-11-25-45(43)52(46-26-12-10-24-44(46)51)36-30-32-42-40-22-14-16-28-48(40)54(50(42)34-36,37-17-5-3-6-18-37)38-19-7-4-8-20-38;1-4-50(34-16-6-5-7-17-34)44-25-15-13-19-36(44)38-29-27-33(31-46(38)50)48-41-22-10-8-20-39(41)47(40-21-9-11-23-42(40)48)32-26-28-37-35-18-12-14-24-43(35)49(2,3)45(37)30-32/h3-34H,1-2H3;5-31H,4H2,1-3H3
• InChIKey: NKCOEAYXBQCAJK-UHFFFAOYSA-N
• XLogP: 27.35
• TPSA: 0.00 Ų
• Rotatable Bonds: 8
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1325.75
LogP ≤ 5	27.35
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-(9,9-diphenylfluoren-2-yl)anthracene;9-(9,9-dimethylfluoren-2-yl)-10-(9-ethyl-9-phenylfluoren-2-yl)anthracene?

The IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)anthracene;9-(9,9-dimethylfluoren-2-yl)-10-(9-ethyl-9-phenylfluoren-2-yl)anthracene (CID 90688041) is 9-(9,9-dimethylfluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)anthracene;9-(9,9-dimethylfluoren-2-yl)-10-(9-ethyl-9-phenylfluoren-2-yl)anthracene.

What is the SMILES notation for 9-(9,9-dimethylfluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)anthracene;9-(9,9-dimethylfluoren-2-yl)-10-(9-ethyl-9-phenylfluoren-2-yl)anthracene?

The canonical SMILES for 9-(9,9-dimethylfluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)anthracene;9-(9,9-dimethylfluoren-2-yl)-10-(9-ethyl-9-phenylfluoren-2-yl)anthracene is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4ccccc34)cc21.CCC1(c2ccccc2)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc34)cc21.

What is the InChIKey of 9-(9,9-dimethylfluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)anthracene;9-(9,9-dimethylfluoren-2-yl)-10-(9-ethyl-9-phenylfluoren-2-yl)anthracene?

The InChIKey is NKCOEAYXBQCAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38.C50H38/c1-53(2)47-27-15-13-21-39(47)41-31-29-35(33-49(41)53)51-43-23-9-11-25-45(43)52(46-26-12-10-24-44(46)51)36-30-32-42-40-22-14-16-28-48(40)54(50(42)34-36,37-17-5-3-6-18-37)38-19-7-4-8-20-38;1-4-50(34-16-6-5-7-17-34)44-25-15-13-19-36(44)38-29-27-33(31-46(38)50)48-41-22-10-8-20-39(41)47(40-21-9-11-23-42(40)48)32-26-28-37-35-18-12-14-24-43(35)49(2,3)45(37)30-32/h3-34H,1-2H3;5-31H,4H2,1-3H3.

What are the key properties of 9-(9,9-dimethylfluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)anthracene;9-(9,9-dimethylfluoren-2-yl)-10-(9-ethyl-9-phenylfluoren-2-yl)anthracene?

9-(9,9-dimethylfluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)anthracene;9-(9,9-dimethylfluoren-2-yl)-10-(9-ethyl-9-phenylfluoren-2-yl)anthracene has a molecular weight of 1325.75 g/mol, XLogP of 27.35, 8 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-(9,9-diphenylfluoren-2-yl)anthracene;9-(9,9-dimethylfluoren-2-yl)-10-(9-ethyl-9-phenylfluoren-2-yl)anthracene is sourced from PubChem (CID 90688041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).