1-[8-(9,9-dimethyl-10-phenylacridin-1-yl)-10-(2-phenylphenyl)anthracen-1-yl]-9,9-dimethyl-10-phenylacridine

C68H52N2 — CID 155333450

About 1-[8-(9,9-dimethyl-10-phenylacridin-1-yl)-10-(2-phenylphenyl)anthracen-1-yl]-9,9-dimethyl-10-phenylacridine

1-[8-(9,9-dimethyl-10-phenylacridin-1-yl)-10-(2-phenylphenyl)anthracen-1-yl]-9,9-dimethyl-10-phenylacridine (PubChem CID 155333450) has the molecular formula C68H52N2 and a molecular weight of 897.18 g/mol. Its IUPAC name is 1-[8-(9,9-dimethyl-10-phenylacridin-1-yl)-10-(2-phenylphenyl)anthracen-1-yl]-9,9-dimethyl-10-phenylacridine.

Molecular Properties

• Compound Name: 1-[8-(9,9-dimethyl-10-phenylacridin-1-yl)-10-(2-phenylphenyl)anthracen-1-yl]-9,9-dimethyl-10-phenylacridine
• PubChem CID: 155333450
• Molecular Formula: C68H52N2
• Molecular Weight: 897.18 g/mol
• Exact Mass: 896.41
• IUPAC Name: 1-[8-(9,9-dimethyl-10-phenylacridin-1-yl)-10-(2-phenylphenyl)anthracen-1-yl]-9,9-dimethyl-10-phenylacridine
• SMILES: CC1(C)c2ccccc2N(c2ccccc2)c2cccc(-c3cccc4c(-c5ccccc5-c5ccccc5)c5cccc(-c6cccc7c6C(C)(C)c6ccccc6N7c6ccccc6)c5cc34)c21
• InChI: InChI=1S/C68H52N2/c1-67(2)58-38-16-18-40-60(58)69(46-26-10-6-11-27-46)62-42-22-36-54(65(62)67)49-32-20-34-52-56(49)44-57-50(33-21-35-53(57)64(52)51-31-15-14-30-48(51)45-24-8-5-9-25-45)55-37-23-43-63-66(55)68(3,4)59-39-17-19-41-61(59)70(63)47-28-12-7-13-29-47/h5-44H,1-4H3
• InChIKey: QCIUIISDMDRXHC-UHFFFAOYSA-N
• XLogP: 18.88
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	897.18
LogP ≤ 5	18.88
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 1-[8-(9,9-dimethyl-10-phenylacridin-1-yl)-10-(2-phenylphenyl)anthracen-1-yl]-9,9-dimethyl-10-phenylacridine?

The IUPAC name of 1-[8-(9,9-dimethyl-10-phenylacridin-1-yl)-10-(2-phenylphenyl)anthracen-1-yl]-9,9-dimethyl-10-phenylacridine (CID 155333450) is 1-[8-(9,9-dimethyl-10-phenylacridin-1-yl)-10-(2-phenylphenyl)anthracen-1-yl]-9,9-dimethyl-10-phenylacridine.

What is the SMILES notation for 1-[8-(9,9-dimethyl-10-phenylacridin-1-yl)-10-(2-phenylphenyl)anthracen-1-yl]-9,9-dimethyl-10-phenylacridine?

The canonical SMILES for 1-[8-(9,9-dimethyl-10-phenylacridin-1-yl)-10-(2-phenylphenyl)anthracen-1-yl]-9,9-dimethyl-10-phenylacridine is CC1(C)c2ccccc2N(c2ccccc2)c2cccc(-c3cccc4c(-c5ccccc5-c5ccccc5)c5cccc(-c6cccc7c6C(C)(C)c6ccccc6N7c6ccccc6)c5cc34)c21.

What is the InChIKey of 1-[8-(9,9-dimethyl-10-phenylacridin-1-yl)-10-(2-phenylphenyl)anthracen-1-yl]-9,9-dimethyl-10-phenylacridine?

The InChIKey is QCIUIISDMDRXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H52N2/c1-67(2)58-38-16-18-40-60(58)69(46-26-10-6-11-27-46)62-42-22-36-54(65(62)67)49-32-20-34-52-56(49)44-57-50(33-21-35-53(57)64(52)51-31-15-14-30-48(51)45-24-8-5-9-25-45)55-37-23-43-63-66(55)68(3,4)59-39-17-19-41-61(59)70(63)47-28-12-7-13-29-47/h5-44H,1-4H3.

What are the key properties of 1-[8-(9,9-dimethyl-10-phenylacridin-1-yl)-10-(2-phenylphenyl)anthracen-1-yl]-9,9-dimethyl-10-phenylacridine?

1-[8-(9,9-dimethyl-10-phenylacridin-1-yl)-10-(2-phenylphenyl)anthracen-1-yl]-9,9-dimethyl-10-phenylacridine has a molecular weight of 897.18 g/mol, XLogP of 18.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[8-(9,9-dimethyl-10-phenylacridin-1-yl)-10-(2-phenylphenyl)anthracen-1-yl]-9,9-dimethyl-10-phenylacridine is sourced from PubChem (CID 155333450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).