10-[6-(9,9-dimethylacridin-10-yl)-9-naphthalen-2-yl-10-perylen-3-ylanthracen-2-yl]-9,9-dimethylacridine

C74H52N2 — CID 59220754

About 10-[6-(9,9-dimethylacridin-10-yl)-9-naphthalen-2-yl-10-perylen-3-ylanthracen-2-yl]-9,9-dimethylacridine

10-[6-(9,9-dimethylacridin-10-yl)-9-naphthalen-2-yl-10-perylen-3-ylanthracen-2-yl]-9,9-dimethylacridine (PubChem CID 59220754) has the molecular formula C74H52N2 and a molecular weight of 969.24 g/mol. Its IUPAC name is 10-[6-(9,9-dimethylacridin-10-yl)-9-naphthalen-2-yl-10-perylen-3-ylanthracen-2-yl]-9,9-dimethylacridine.

Molecular Properties

• Compound Name: 10-[6-(9,9-dimethylacridin-10-yl)-9-naphthalen-2-yl-10-perylen-3-ylanthracen-2-yl]-9,9-dimethylacridine
• PubChem CID: 59220754
• Molecular Formula: C74H52N2
• Molecular Weight: 969.24 g/mol
• Exact Mass: 968.41
• IUPAC Name: 10-[6-(9,9-dimethylacridin-10-yl)-9-naphthalen-2-yl-10-perylen-3-ylanthracen-2-yl]-9,9-dimethylacridine
• SMILES: CC1(C)c2ccccc2N(c2ccc3c(-c4ccc5c6cccc7cccc(c8cccc4c85)c76)c4cc(N5c6ccccc6C(C)(C)c6ccccc65)ccc4c(-c4ccc5ccccc5c4)c3c2)c2ccccc21
• InChI: InChI=1S/C74H52N2/c1-73(2)61-26-7-11-30-65(61)75(66-31-12-8-27-62(66)73)49-37-39-58-59(43-49)70(48-35-34-45-18-5-6-19-47(45)42-48)57-38-36-50(76-67-32-13-9-28-63(67)74(3,4)64-29-10-14-33-68(64)76)44-60(57)72(58)56-41-40-55-52-23-16-21-46-20-15-22-51(69(46)52)53-24-17-25-54(56)71(53)55/h5-44H,1-4H3
• InChIKey: BWAQTZUDCBYFSY-UHFFFAOYSA-N
• XLogP: 20.75
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	969.24
LogP ≤ 5	20.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10-[6-(9,9-dimethylacridin-10-yl)-9-naphthalen-2-yl-10-perylen-3-ylanthracen-2-yl]-9,9-dimethylacridine?

The IUPAC name of 10-[6-(9,9-dimethylacridin-10-yl)-9-naphthalen-2-yl-10-perylen-3-ylanthracen-2-yl]-9,9-dimethylacridine (CID 59220754) is 10-[6-(9,9-dimethylacridin-10-yl)-9-naphthalen-2-yl-10-perylen-3-ylanthracen-2-yl]-9,9-dimethylacridine.

What is the SMILES notation for 10-[6-(9,9-dimethylacridin-10-yl)-9-naphthalen-2-yl-10-perylen-3-ylanthracen-2-yl]-9,9-dimethylacridine?

The canonical SMILES for 10-[6-(9,9-dimethylacridin-10-yl)-9-naphthalen-2-yl-10-perylen-3-ylanthracen-2-yl]-9,9-dimethylacridine is CC1(C)c2ccccc2N(c2ccc3c(-c4ccc5c6cccc7cccc(c8cccc4c85)c76)c4cc(N5c6ccccc6C(C)(C)c6ccccc65)ccc4c(-c4ccc5ccccc5c4)c3c2)c2ccccc21.

What is the InChIKey of 10-[6-(9,9-dimethylacridin-10-yl)-9-naphthalen-2-yl-10-perylen-3-ylanthracen-2-yl]-9,9-dimethylacridine?

The InChIKey is BWAQTZUDCBYFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H52N2/c1-73(2)61-26-7-11-30-65(61)75(66-31-12-8-27-62(66)73)49-37-39-58-59(43-49)70(48-35-34-45-18-5-6-19-47(45)42-48)57-38-36-50(76-67-32-13-9-28-63(67)74(3,4)64-29-10-14-33-68(64)76)44-60(57)72(58)56-41-40-55-52-23-16-21-46-20-15-22-51(69(46)52)53-24-17-25-54(56)71(53)55/h5-44H,1-4H3.

What are the key properties of 10-[6-(9,9-dimethylacridin-10-yl)-9-naphthalen-2-yl-10-perylen-3-ylanthracen-2-yl]-9,9-dimethylacridine?

10-[6-(9,9-dimethylacridin-10-yl)-9-naphthalen-2-yl-10-perylen-3-ylanthracen-2-yl]-9,9-dimethylacridine has a molecular weight of 969.24 g/mol, XLogP of 20.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[6-(9,9-dimethylacridin-10-yl)-9-naphthalen-2-yl-10-perylen-3-ylanthracen-2-yl]-9,9-dimethylacridine is sourced from PubChem (CID 59220754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).