2-N-(7,8-dihydronaphthalen-2-yl)-9,10-dinaphthalen-1-yl-2-N,6-N,6-N-trinaphthalen-2-ylanthracene-2,6-diamine

C74H50N2 — CID 89152058

About 2-N-(7,8-dihydronaphthalen-2-yl)-9,10-dinaphthalen-1-yl-2-N,6-N,6-N-trinaphthalen-2-ylanthracene-2,6-diamine

2-N-(7,8-dihydronaphthalen-2-yl)-9,10-dinaphthalen-1-yl-2-N,6-N,6-N-trinaphthalen-2-ylanthracene-2,6-diamine (PubChem CID 89152058) has the molecular formula C74H50N2 and a molecular weight of 967.23 g/mol. Its IUPAC name is 2-N-(7,8-dihydronaphthalen-2-yl)-9,10-dinaphthalen-1-yl-2-N,6-N,6-N-trinaphthalen-2-ylanthracene-2,6-diamine.

Molecular Properties

• Compound Name: 2-N-(7,8-dihydronaphthalen-2-yl)-9,10-dinaphthalen-1-yl-2-N,6-N,6-N-trinaphthalen-2-ylanthracene-2,6-diamine
• PubChem CID: 89152058
• Molecular Formula: C74H50N2
• Molecular Weight: 967.23 g/mol
• Exact Mass: 966.40
• IUPAC Name: 2-N-(7,8-dihydronaphthalen-2-yl)-9,10-dinaphthalen-1-yl-2-N,6-N,6-N-trinaphthalen-2-ylanthracene-2,6-diamine
• SMILES: C1=Cc2ccc(N(c3ccc4ccccc4c3)c3ccc4c(-c5cccc6ccccc56)c5cc(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)ccc5c(-c5cccc6ccccc56)c4c3)cc2CC1
• InChI: InChI=1S/C74H50N2/c1-5-21-55-43-59(35-31-49(55)15-1)75(60-36-32-50-16-2-6-22-56(50)44-60)63-39-41-69-71(47-63)73(67-29-13-25-53-19-9-11-27-65(53)67)70-42-40-64(48-72(70)74(69)68-30-14-26-54-20-10-12-28-66(54)68)76(61-37-33-51-17-3-7-23-57(51)45-61)62-38-34-52-18-4-8-24-58(52)46-62/h1-7,9-23,25-48H,8,24H2
• InChIKey: CCYBPSUQVAJNFU-UHFFFAOYSA-N
• XLogP: 20.99
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	967.23
LogP ≤ 5	20.99
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 2-N-(7,8-dihydronaphthalen-2-yl)-9,10-dinaphthalen-1-yl-2-N,6-N,6-N-trinaphthalen-2-ylanthracene-2,6-diamine?

The IUPAC name of 2-N-(7,8-dihydronaphthalen-2-yl)-9,10-dinaphthalen-1-yl-2-N,6-N,6-N-trinaphthalen-2-ylanthracene-2,6-diamine (CID 89152058) is 2-N-(7,8-dihydronaphthalen-2-yl)-9,10-dinaphthalen-1-yl-2-N,6-N,6-N-trinaphthalen-2-ylanthracene-2,6-diamine.

What is the SMILES notation for 2-N-(7,8-dihydronaphthalen-2-yl)-9,10-dinaphthalen-1-yl-2-N,6-N,6-N-trinaphthalen-2-ylanthracene-2,6-diamine?

The canonical SMILES for 2-N-(7,8-dihydronaphthalen-2-yl)-9,10-dinaphthalen-1-yl-2-N,6-N,6-N-trinaphthalen-2-ylanthracene-2,6-diamine is C1=Cc2ccc(N(c3ccc4ccccc4c3)c3ccc4c(-c5cccc6ccccc56)c5cc(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)ccc5c(-c5cccc6ccccc56)c4c3)cc2CC1.

What is the InChIKey of 2-N-(7,8-dihydronaphthalen-2-yl)-9,10-dinaphthalen-1-yl-2-N,6-N,6-N-trinaphthalen-2-ylanthracene-2,6-diamine?

The InChIKey is CCYBPSUQVAJNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H50N2/c1-5-21-55-43-59(35-31-49(55)15-1)75(60-36-32-50-16-2-6-22-56(50)44-60)63-39-41-69-71(47-63)73(67-29-13-25-53-19-9-11-27-65(53)67)70-42-40-64(48-72(70)74(69)68-30-14-26-54-20-10-12-28-66(54)68)76(61-37-33-51-17-3-7-23-57(51)45-61)62-38-34-52-18-4-8-24-58(52)46-62/h1-7,9-23,25-48H,8,24H2.

What are the key properties of 2-N-(7,8-dihydronaphthalen-2-yl)-9,10-dinaphthalen-1-yl-2-N,6-N,6-N-trinaphthalen-2-ylanthracene-2,6-diamine?

2-N-(7,8-dihydronaphthalen-2-yl)-9,10-dinaphthalen-1-yl-2-N,6-N,6-N-trinaphthalen-2-ylanthracene-2,6-diamine has a molecular weight of 967.23 g/mol, XLogP of 20.99, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(7,8-dihydronaphthalen-2-yl)-9,10-dinaphthalen-1-yl-2-N,6-N,6-N-trinaphthalen-2-ylanthracene-2,6-diamine is sourced from PubChem (CID 89152058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).