9,9-dimethyl-2-N,2-N,7-N,7-N-tetraphenyl-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)acridine-2,7-diamine

C59H43N7 — CID 129089141

About 9,9-dimethyl-2-N,2-N,7-N,7-N-tetraphenyl-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)acridine-2,7-diamine

9,9-dimethyl-2-N,2-N,7-N,7-N-tetraphenyl-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)acridine-2,7-diamine (PubChem CID 129089141) has the molecular formula C59H43N7 and a molecular weight of 850.04 g/mol. Its IUPAC name is 9,9-dimethyl-2-N,2-N,7-N,7-N-tetraphenyl-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)acridine-2,7-diamine.

Molecular Properties

• Compound Name: 9,9-dimethyl-2-N,2-N,7-N,7-N-tetraphenyl-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)acridine-2,7-diamine
• PubChem CID: 129089141
• Molecular Formula: C59H43N7
• Molecular Weight: 850.04 g/mol
• Exact Mass: 849.36
• IUPAC Name: 9,9-dimethyl-2-N,2-N,7-N,7-N-tetraphenyl-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)acridine-2,7-diamine
• SMILES: CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2N(c2ccc3c4nccnc4c4ccc(-c5ccccc5)nc4c3n2)c2ccc(N(c3ccccc3)c3ccccc3)cc21
• InChI: InChI=1S/C59H43N7/c1-59(2)49-38-45(64(41-20-10-4-11-21-41)42-22-12-5-13-23-42)28-33-52(49)66(53-34-29-46(39-50(53)59)65(43-24-14-6-15-25-43)44-26-16-7-17-27-44)54-35-31-48-56-55(60-36-37-61-56)47-30-32-51(40-18-8-3-9-19-40)62-57(47)58(48)63-54/h3-39H,1-2H3
• InChIKey: LUSCGWOCOZGSGH-UHFFFAOYSA-N
• XLogP: 15.44
• TPSA: 61.28 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	850.04
LogP ≤ 5	15.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-2-N,2-N,7-N,7-N-tetraphenyl-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)acridine-2,7-diamine?

The IUPAC name of 9,9-dimethyl-2-N,2-N,7-N,7-N-tetraphenyl-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)acridine-2,7-diamine (CID 129089141) is 9,9-dimethyl-2-N,2-N,7-N,7-N-tetraphenyl-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)acridine-2,7-diamine.

What is the SMILES notation for 9,9-dimethyl-2-N,2-N,7-N,7-N-tetraphenyl-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)acridine-2,7-diamine?

The canonical SMILES for 9,9-dimethyl-2-N,2-N,7-N,7-N-tetraphenyl-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)acridine-2,7-diamine is CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2N(c2ccc3c4nccnc4c4ccc(-c5ccccc5)nc4c3n2)c2ccc(N(c3ccccc3)c3ccccc3)cc21.

What is the InChIKey of 9,9-dimethyl-2-N,2-N,7-N,7-N-tetraphenyl-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)acridine-2,7-diamine?

The InChIKey is LUSCGWOCOZGSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H43N7/c1-59(2)49-38-45(64(41-20-10-4-11-21-41)42-22-12-5-13-23-42)28-33-52(49)66(53-34-29-46(39-50(53)59)65(43-24-14-6-15-25-43)44-26-16-7-17-27-44)54-35-31-48-56-55(60-36-37-61-56)47-30-32-51(40-18-8-3-9-19-40)62-57(47)58(48)63-54/h3-39H,1-2H3.

What are the key properties of 9,9-dimethyl-2-N,2-N,7-N,7-N-tetraphenyl-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)acridine-2,7-diamine?

9,9-dimethyl-2-N,2-N,7-N,7-N-tetraphenyl-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)acridine-2,7-diamine has a molecular weight of 850.04 g/mol, XLogP of 15.44, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-2-N,2-N,7-N,7-N-tetraphenyl-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)acridine-2,7-diamine is sourced from PubChem (CID 129089141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).