10-[9-(4-cyclohexa-1,3-dien-1-ylphenyl)-6-(9,9-dimethylacridin-10-yl)-10-naphthalen-1-ylanthracen-2-yl]-9,9-dimethylacridine

C66H52N2 — CID 89111379

About 10-[9-(4-cyclohexa-1,3-dien-1-ylphenyl)-6-(9,9-dimethylacridin-10-yl)-10-naphthalen-1-ylanthracen-2-yl]-9,9-dimethylacridine

10-[9-(4-cyclohexa-1,3-dien-1-ylphenyl)-6-(9,9-dimethylacridin-10-yl)-10-naphthalen-1-ylanthracen-2-yl]-9,9-dimethylacridine (PubChem CID 89111379) has the molecular formula C66H52N2 and a molecular weight of 873.16 g/mol. Its IUPAC name is 10-[9-(4-cyclohexa-1,3-dien-1-ylphenyl)-6-(9,9-dimethylacridin-10-yl)-10-naphthalen-1-ylanthracen-2-yl]-9,9-dimethylacridine.

Molecular Properties

• Compound Name: 10-[9-(4-cyclohexa-1,3-dien-1-ylphenyl)-6-(9,9-dimethylacridin-10-yl)-10-naphthalen-1-ylanthracen-2-yl]-9,9-dimethylacridine
• PubChem CID: 89111379
• Molecular Formula: C66H52N2
• Molecular Weight: 873.16 g/mol
• Exact Mass: 872.41
• IUPAC Name: 10-[9-(4-cyclohexa-1,3-dien-1-ylphenyl)-6-(9,9-dimethylacridin-10-yl)-10-naphthalen-1-ylanthracen-2-yl]-9,9-dimethylacridine
• SMILES: CC1(C)c2ccccc2N(c2ccc3c(-c4cccc5ccccc45)c4cc(N5c6ccccc6C(C)(C)c6ccccc65)ccc4c(-c4ccc(C5=CC=CCC5)cc4)c3c2)c2ccccc21
• InChI: InChI=1S/C66H52N2/c1-65(2)55-25-10-14-29-59(55)67(60-30-15-11-26-56(60)65)47-38-40-52-53(41-47)63(46-35-33-44(34-36-46)43-19-6-5-7-20-43)51-39-37-48(42-54(51)64(52)50-24-18-22-45-21-8-9-23-49(45)50)68-61-31-16-12-27-57(61)66(3,4)58-28-13-17-32-62(58)68/h5-6,8-19,21-42H,7,20H2,1-4H3
• InChIKey: PRQAKVWOIZZHOS-UHFFFAOYSA-N
• XLogP: 18.43
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	873.16
LogP ≤ 5	18.43
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 10-[9-(4-cyclohexa-1,3-dien-1-ylphenyl)-6-(9,9-dimethylacridin-10-yl)-10-naphthalen-1-ylanthracen-2-yl]-9,9-dimethylacridine?

The IUPAC name of 10-[9-(4-cyclohexa-1,3-dien-1-ylphenyl)-6-(9,9-dimethylacridin-10-yl)-10-naphthalen-1-ylanthracen-2-yl]-9,9-dimethylacridine (CID 89111379) is 10-[9-(4-cyclohexa-1,3-dien-1-ylphenyl)-6-(9,9-dimethylacridin-10-yl)-10-naphthalen-1-ylanthracen-2-yl]-9,9-dimethylacridine.

What is the SMILES notation for 10-[9-(4-cyclohexa-1,3-dien-1-ylphenyl)-6-(9,9-dimethylacridin-10-yl)-10-naphthalen-1-ylanthracen-2-yl]-9,9-dimethylacridine?

The canonical SMILES for 10-[9-(4-cyclohexa-1,3-dien-1-ylphenyl)-6-(9,9-dimethylacridin-10-yl)-10-naphthalen-1-ylanthracen-2-yl]-9,9-dimethylacridine is CC1(C)c2ccccc2N(c2ccc3c(-c4cccc5ccccc45)c4cc(N5c6ccccc6C(C)(C)c6ccccc65)ccc4c(-c4ccc(C5=CC=CCC5)cc4)c3c2)c2ccccc21.

What is the InChIKey of 10-[9-(4-cyclohexa-1,3-dien-1-ylphenyl)-6-(9,9-dimethylacridin-10-yl)-10-naphthalen-1-ylanthracen-2-yl]-9,9-dimethylacridine?

The InChIKey is PRQAKVWOIZZHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H52N2/c1-65(2)55-25-10-14-29-59(55)67(60-30-15-11-26-56(60)65)47-38-40-52-53(41-47)63(46-35-33-44(34-36-46)43-19-6-5-7-20-43)51-39-37-48(42-54(51)64(52)50-24-18-22-45-21-8-9-23-49(45)50)68-61-31-16-12-27-57(61)66(3,4)58-28-13-17-32-62(58)68/h5-6,8-19,21-42H,7,20H2,1-4H3.

What are the key properties of 10-[9-(4-cyclohexa-1,3-dien-1-ylphenyl)-6-(9,9-dimethylacridin-10-yl)-10-naphthalen-1-ylanthracen-2-yl]-9,9-dimethylacridine?

10-[9-(4-cyclohexa-1,3-dien-1-ylphenyl)-6-(9,9-dimethylacridin-10-yl)-10-naphthalen-1-ylanthracen-2-yl]-9,9-dimethylacridine has a molecular weight of 873.16 g/mol, XLogP of 18.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[9-(4-cyclohexa-1,3-dien-1-ylphenyl)-6-(9,9-dimethylacridin-10-yl)-10-naphthalen-1-ylanthracen-2-yl]-9,9-dimethylacridine is sourced from PubChem (CID 89111379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).