9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine

C82H56N2 — CID 88869069

About 9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine

9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine (PubChem CID 88869069) has the molecular formula C82H56N2 and a molecular weight of 1069.36 g/mol. Its IUPAC name is 9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine.

Molecular Properties

• Compound Name: 9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
• PubChem CID: 88869069
• Molecular Formula: C82H56N2
• Molecular Weight: 1069.36 g/mol
• Exact Mass: 1068.44
• IUPAC Name: 9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(-c5ccc6ccccc6c5)c5cc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)ccc5c(-c5ccc6ccccc6c5)c4c3)cc2)cc1
• InChI: InChI=1S/C82H56N2/c1-5-17-57(18-6-1)63-33-41-71(42-34-63)83(72-43-35-64(36-44-72)58-19-7-2-8-20-58)75-49-51-77-79(55-75)81(69-31-29-61-25-13-15-27-67(61)53-69)78-52-50-76(56-80(78)82(77)70-32-30-62-26-14-16-28-68(62)54-70)84(73-45-37-65(38-46-73)59-21-9-3-10-22-59)74-47-39-66(40-48-74)60-23-11-4-12-24-60/h1-56H
• InChIKey: SITWRCDZSKYSCB-UHFFFAOYSA-N
• XLogP: 23.24
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1069.36
LogP ≤ 5	23.24
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 9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine?

The IUPAC name of 9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine (CID 88869069) is 9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine.

What is the SMILES notation for 9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine?

The canonical SMILES for 9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(-c5ccc6ccccc6c5)c5cc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)ccc5c(-c5ccc6ccccc6c5)c4c3)cc2)cc1.

What is the InChIKey of 9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine?

The InChIKey is SITWRCDZSKYSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H56N2/c1-5-17-57(18-6-1)63-33-41-71(42-34-63)83(72-43-35-64(36-44-72)58-19-7-2-8-20-58)75-49-51-77-79(55-75)81(69-31-29-61-25-13-15-27-67(61)53-69)78-52-50-76(56-80(78)82(77)70-32-30-62-26-14-16-28-68(62)54-70)84(73-45-37-65(38-46-73)59-21-9-3-10-22-59)74-47-39-66(40-48-74)60-23-11-4-12-24-60/h1-56H.

What are the key properties of 9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine?

9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine has a molecular weight of 1069.36 g/mol, XLogP of 23.24, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine is sourced from PubChem (CID 88869069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).