[9,9-dimethyl-7-[10-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]fluoren-2-yl]-triphenylsilane

C73H52Si — CID 122381660

About [9,9-dimethyl-7-[10-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]fluoren-2-yl]-triphenylsilane

[9,9-dimethyl-7-[10-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]fluoren-2-yl]-triphenylsilane (PubChem CID 122381660) has the molecular formula C73H52Si and a molecular weight of 957.31 g/mol. Its IUPAC name is [9,9-dimethyl-7-[10-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]fluoren-2-yl]-triphenylsilane.

Molecular Properties

• Compound Name: [9,9-dimethyl-7-[10-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]fluoren-2-yl]-triphenylsilane
• PubChem CID: 122381660
• Molecular Formula: C73H52Si
• Molecular Weight: 957.31 g/mol
• Exact Mass: 956.38
• IUPAC Name: [9,9-dimethyl-7-[10-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]fluoren-2-yl]-triphenylsilane
• SMILES: CC1(C)c2cc(-c3c4ccccc4c(-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)c4ccccc34)ccc2-c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc21
• InChI: InChI=1S/C73H52Si/c1-73(2)67-47-52(43-45-57(67)58-46-44-56(48-68(58)73)74(53-25-9-4-10-26-53,54-27-11-5-12-28-54)55-29-13-6-14-30-55)72-65-37-21-19-35-63(65)71(64-36-20-22-38-66(64)72)51-41-39-50(40-42-51)70-61-33-17-15-31-59(61)69(49-23-7-3-8-24-49)60-32-16-18-34-62(60)70/h3-48H,1-2H3
• InChIKey: ZZXJRSIUPCWSGE-UHFFFAOYSA-N
• XLogP: 16.65
• TPSA: 0.00 Ų
• Rotatable Bonds: 8
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	957.31
LogP ≤ 5	16.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [9,9-dimethyl-7-[10-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]fluoren-2-yl]-triphenylsilane?

The IUPAC name of [9,9-dimethyl-7-[10-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]fluoren-2-yl]-triphenylsilane (CID 122381660) is [9,9-dimethyl-7-[10-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]fluoren-2-yl]-triphenylsilane.

What is the SMILES notation for [9,9-dimethyl-7-[10-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]fluoren-2-yl]-triphenylsilane?

The canonical SMILES for [9,9-dimethyl-7-[10-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]fluoren-2-yl]-triphenylsilane is CC1(C)c2cc(-c3c4ccccc4c(-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)c4ccccc34)ccc2-c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc21.

What is the InChIKey of [9,9-dimethyl-7-[10-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]fluoren-2-yl]-triphenylsilane?

The InChIKey is ZZXJRSIUPCWSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H52Si/c1-73(2)67-47-52(43-45-57(67)58-46-44-56(48-68(58)73)74(53-25-9-4-10-26-53,54-27-11-5-12-28-54)55-29-13-6-14-30-55)72-65-37-21-19-35-63(65)71(64-36-20-22-38-66(64)72)51-41-39-50(40-42-51)70-61-33-17-15-31-59(61)69(49-23-7-3-8-24-49)60-32-16-18-34-62(60)70/h3-48H,1-2H3.

What are the key properties of [9,9-dimethyl-7-[10-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]fluoren-2-yl]-triphenylsilane?

[9,9-dimethyl-7-[10-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]fluoren-2-yl]-triphenylsilane has a molecular weight of 957.31 g/mol, XLogP of 16.65, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for [9,9-dimethyl-7-[10-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]fluoren-2-yl]-triphenylsilane is sourced from PubChem (CID 122381660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).