5,5,8,8-tetramethyl-1-[10-(5,5,8,8-tetramethylindeno[2,1-c]xanthen-1-yl)anthracen-9-yl]indeno[2,1-c]xanthene

C62H50O2 — CID 118081432

About 5,5,8,8-tetramethyl-1-[10-(5,5,8,8-tetramethylindeno[2,1-c]xanthen-1-yl)anthracen-9-yl]indeno[2,1-c]xanthene

5,5,8,8-tetramethyl-1-[10-(5,5,8,8-tetramethylindeno[2,1-c]xanthen-1-yl)anthracen-9-yl]indeno[2,1-c]xanthene (PubChem CID 118081432) has the molecular formula C62H50O2 and a molecular weight of 827.08 g/mol. Its IUPAC name is 5,5,8,8-tetramethyl-1-[10-(5,5,8,8-tetramethylindeno[2,1-c]xanthen-1-yl)anthracen-9-yl]indeno[2,1-c]xanthene.

Molecular Properties

• Compound Name: 5,5,8,8-tetramethyl-1-[10-(5,5,8,8-tetramethylindeno[2,1-c]xanthen-1-yl)anthracen-9-yl]indeno[2,1-c]xanthene
• PubChem CID: 118081432
• Molecular Formula: C62H50O2
• Molecular Weight: 827.08 g/mol
• Exact Mass: 826.38
• IUPAC Name: 5,5,8,8-tetramethyl-1-[10-(5,5,8,8-tetramethylindeno[2,1-c]xanthen-1-yl)anthracen-9-yl]indeno[2,1-c]xanthene
• SMILES: CC1(C)c2cccc(-c3c4ccccc4c(-c4cccc5c4Oc4c(ccc6c4-c4ccccc4C6(C)C)C5(C)C)c4ccccc34)c2Oc2c1ccc1c2-c2ccccc2C1(C)C
• InChI: InChI=1S/C62H50O2/c1-59(2)43-27-15-13-23-39(43)53-45(59)31-33-49-57(53)63-55-41(25-17-29-47(55)61(49,5)6)51-35-19-9-11-21-37(35)52(38-22-12-10-20-36(38)51)42-26-18-30-48-56(42)64-58-50(62(48,7)8)34-32-46-54(58)40-24-14-16-28-44(40)60(46,3)4/h9-34H,1-8H3
• InChIKey: BDNVJOHYLIFDHE-UHFFFAOYSA-N
• XLogP: 16.80
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	827.08
LogP ≤ 5	16.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5,5,8,8-tetramethyl-1-[10-(5,5,8,8-tetramethylindeno[2,1-c]xanthen-1-yl)anthracen-9-yl]indeno[2,1-c]xanthene?

The IUPAC name of 5,5,8,8-tetramethyl-1-[10-(5,5,8,8-tetramethylindeno[2,1-c]xanthen-1-yl)anthracen-9-yl]indeno[2,1-c]xanthene (CID 118081432) is 5,5,8,8-tetramethyl-1-[10-(5,5,8,8-tetramethylindeno[2,1-c]xanthen-1-yl)anthracen-9-yl]indeno[2,1-c]xanthene.

What is the SMILES notation for 5,5,8,8-tetramethyl-1-[10-(5,5,8,8-tetramethylindeno[2,1-c]xanthen-1-yl)anthracen-9-yl]indeno[2,1-c]xanthene?

The canonical SMILES for 5,5,8,8-tetramethyl-1-[10-(5,5,8,8-tetramethylindeno[2,1-c]xanthen-1-yl)anthracen-9-yl]indeno[2,1-c]xanthene is CC1(C)c2cccc(-c3c4ccccc4c(-c4cccc5c4Oc4c(ccc6c4-c4ccccc4C6(C)C)C5(C)C)c4ccccc34)c2Oc2c1ccc1c2-c2ccccc2C1(C)C.

What is the InChIKey of 5,5,8,8-tetramethyl-1-[10-(5,5,8,8-tetramethylindeno[2,1-c]xanthen-1-yl)anthracen-9-yl]indeno[2,1-c]xanthene?

The InChIKey is BDNVJOHYLIFDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H50O2/c1-59(2)43-27-15-13-23-39(43)53-45(59)31-33-49-57(53)63-55-41(25-17-29-47(55)61(49,5)6)51-35-19-9-11-21-37(35)52(38-22-12-10-20-36(38)51)42-26-18-30-48-56(42)64-58-50(62(48,7)8)34-32-46-54(58)40-24-14-16-28-44(40)60(46,3)4/h9-34H,1-8H3.

What are the key properties of 5,5,8,8-tetramethyl-1-[10-(5,5,8,8-tetramethylindeno[2,1-c]xanthen-1-yl)anthracen-9-yl]indeno[2,1-c]xanthene?

5,5,8,8-tetramethyl-1-[10-(5,5,8,8-tetramethylindeno[2,1-c]xanthen-1-yl)anthracen-9-yl]indeno[2,1-c]xanthene has a molecular weight of 827.08 g/mol, XLogP of 16.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5,8,8-tetramethyl-1-[10-(5,5,8,8-tetramethylindeno[2,1-c]xanthen-1-yl)anthracen-9-yl]indeno[2,1-c]xanthene is sourced from PubChem (CID 118081432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).