2-N,6-N,9-trinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine

C62H42N2 — CID 59766461

About 2-N,6-N,9-trinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine

2-N,6-N,9-trinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine (PubChem CID 59766461) has the molecular formula C62H42N2 and a molecular weight of 815.03 g/mol. Its IUPAC name is 2-N,6-N,9-trinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine.

Molecular Properties

• Compound Name: 2-N,6-N,9-trinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine
• PubChem CID: 59766461
• Molecular Formula: C62H42N2
• Molecular Weight: 815.03 g/mol
• Exact Mass: 814.33
• IUPAC Name: 2-N,6-N,9-trinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine
• SMILES: c1ccc(-c2c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3c(-c3ccc4ccccc4c3)c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc23)cc1
• InChI: InChI=1S/C62H42N2/c1-4-19-46(20-5-1)61-57-36-34-56(64(52-26-8-3-9-27-52)54-33-31-45-18-12-15-23-49(45)40-54)42-60(57)62(50-29-28-43-16-10-13-21-47(43)38-50)58-37-35-55(41-59(58)61)63(51-24-6-2-7-25-51)53-32-30-44-17-11-14-22-48(44)39-53/h1-42H
• InChIKey: YAHJRZVROSFUJU-UHFFFAOYSA-N
• XLogP: 17.73
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	815.03
LogP ≤ 5	17.73
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,6-N,9-trinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine?

The IUPAC name of 2-N,6-N,9-trinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine (CID 59766461) is 2-N,6-N,9-trinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine.

What is the SMILES notation for 2-N,6-N,9-trinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine?

The canonical SMILES for 2-N,6-N,9-trinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine is c1ccc(-c2c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3c(-c3ccc4ccccc4c3)c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc23)cc1.

What is the InChIKey of 2-N,6-N,9-trinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine?

The InChIKey is YAHJRZVROSFUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42N2/c1-4-19-46(20-5-1)61-57-36-34-56(64(52-26-8-3-9-27-52)54-33-31-45-18-12-15-23-49(45)40-54)42-60(57)62(50-29-28-43-16-10-13-21-47(43)38-50)58-37-35-55(41-59(58)61)63(51-24-6-2-7-25-51)53-32-30-44-17-11-14-22-48(44)39-53/h1-42H.

What are the key properties of 2-N,6-N,9-trinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine?

2-N,6-N,9-trinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine has a molecular weight of 815.03 g/mol, XLogP of 17.73, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,6-N,9-trinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine is sourced from PubChem (CID 59766461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).