9,9,10-trimethyl-1-[10-(10-phenylanthracen-9-yl)-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]acridine

C66H52N2 — CID 155333301

About 9,9,10-trimethyl-1-[10-(10-phenylanthracen-9-yl)-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]acridine

9,9,10-trimethyl-1-[10-(10-phenylanthracen-9-yl)-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]acridine (PubChem CID 155333301) has the molecular formula C66H52N2 and a molecular weight of 873.16 g/mol. Its IUPAC name is 9,9,10-trimethyl-1-[10-(10-phenylanthracen-9-yl)-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]acridine.

Molecular Properties

• Compound Name: 9,9,10-trimethyl-1-[10-(10-phenylanthracen-9-yl)-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]acridine
• PubChem CID: 155333301
• Molecular Formula: C66H52N2
• Molecular Weight: 873.16 g/mol
• Exact Mass: 872.41
• IUPAC Name: 9,9,10-trimethyl-1-[10-(10-phenylanthracen-9-yl)-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]acridine
• SMILES: CN1c2ccccc2C(C)(C)c2c(-c3cccc4c(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c5cccc(-c6cccc7c6C(C)(C)c6ccccc6N7C)c5cc34)cccc21
• InChI: InChI=1S/C66H52N2/c1-65(2)54-34-14-16-36-56(54)67(5)58-38-20-32-50(63(58)65)42-28-18-30-48-52(42)40-53-43(51-33-21-39-59-64(51)66(3,4)55-35-15-17-37-57(55)68(59)6)29-19-31-49(53)62(48)61-46-26-12-10-24-44(46)60(41-22-8-7-9-23-41)45-25-11-13-27-47(45)61/h7-40H,1-6H3
• InChIKey: KCMMEOSUVVFIEX-UHFFFAOYSA-N
• XLogP: 17.78
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	873.16
LogP ≤ 5	17.78
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 9,9,10-trimethyl-1-[10-(10-phenylanthracen-9-yl)-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]acridine?

The IUPAC name of 9,9,10-trimethyl-1-[10-(10-phenylanthracen-9-yl)-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]acridine (CID 155333301) is 9,9,10-trimethyl-1-[10-(10-phenylanthracen-9-yl)-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]acridine.

What is the SMILES notation for 9,9,10-trimethyl-1-[10-(10-phenylanthracen-9-yl)-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]acridine?

The canonical SMILES for 9,9,10-trimethyl-1-[10-(10-phenylanthracen-9-yl)-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]acridine is CN1c2ccccc2C(C)(C)c2c(-c3cccc4c(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c5cccc(-c6cccc7c6C(C)(C)c6ccccc6N7C)c5cc34)cccc21.

What is the InChIKey of 9,9,10-trimethyl-1-[10-(10-phenylanthracen-9-yl)-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]acridine?

The InChIKey is KCMMEOSUVVFIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H52N2/c1-65(2)54-34-14-16-36-56(54)67(5)58-38-20-32-50(63(58)65)42-28-18-30-48-52(42)40-53-43(51-33-21-39-59-64(51)66(3,4)55-35-15-17-37-57(55)68(59)6)29-19-31-49(53)62(48)61-46-26-12-10-24-44(46)60(41-22-8-7-9-23-41)45-25-11-13-27-47(45)61/h7-40H,1-6H3.

What are the key properties of 9,9,10-trimethyl-1-[10-(10-phenylanthracen-9-yl)-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]acridine?

9,9,10-trimethyl-1-[10-(10-phenylanthracen-9-yl)-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]acridine has a molecular weight of 873.16 g/mol, XLogP of 17.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9,10-trimethyl-1-[10-(10-phenylanthracen-9-yl)-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]acridine is sourced from PubChem (CID 155333301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).