N,N-bis(4-methoxyphenyl)-9,10-dinaphthalen-2-ylanthracen-2-amine

C48H35NO2 — CID 162497114

About N,N-bis(4-methoxyphenyl)-9,10-dinaphthalen-2-ylanthracen-2-amine

N,N-bis(4-methoxyphenyl)-9,10-dinaphthalen-2-ylanthracen-2-amine (PubChem CID 162497114) has the molecular formula C48H35NO2 and a molecular weight of 657.81 g/mol. Its IUPAC name is N,N-bis(4-methoxyphenyl)-9,10-dinaphthalen-2-ylanthracen-2-amine.

Molecular Properties

• Compound Name: N,N-bis(4-methoxyphenyl)-9,10-dinaphthalen-2-ylanthracen-2-amine
• PubChem CID: 162497114
• Molecular Formula: C48H35NO2
• Molecular Weight: 657.81 g/mol
• Exact Mass: 657.27
• IUPAC Name: N,N-bis(4-methoxyphenyl)-9,10-dinaphthalen-2-ylanthracen-2-amine
• SMILES: COc1ccc(N(c2ccc(OC)cc2)c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)cc1
• InChI: InChI=1S/C48H35NO2/c1-50-41-24-19-38(20-25-41)49(39-21-26-42(51-2)27-22-39)40-23-28-45-46(31-40)48(37-18-16-33-10-4-6-12-35(33)30-37)44-14-8-7-13-43(44)47(45)36-17-15-32-9-3-5-11-34(32)29-36/h3-31H,1-2H3
• InChIKey: NUKSCUKJADOICO-UHFFFAOYSA-N
• XLogP: 13.12
• TPSA: 21.70 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	657.81
LogP ≤ 5	13.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-methoxyphenyl)-9,10-dinaphthalen-2-ylanthracen-2-amine?

The IUPAC name of N,N-bis(4-methoxyphenyl)-9,10-dinaphthalen-2-ylanthracen-2-amine (CID 162497114) is N,N-bis(4-methoxyphenyl)-9,10-dinaphthalen-2-ylanthracen-2-amine.

What is the SMILES notation for N,N-bis(4-methoxyphenyl)-9,10-dinaphthalen-2-ylanthracen-2-amine?

The canonical SMILES for N,N-bis(4-methoxyphenyl)-9,10-dinaphthalen-2-ylanthracen-2-amine is COc1ccc(N(c2ccc(OC)cc2)c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)cc1.

What is the InChIKey of N,N-bis(4-methoxyphenyl)-9,10-dinaphthalen-2-ylanthracen-2-amine?

The InChIKey is NUKSCUKJADOICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35NO2/c1-50-41-24-19-38(20-25-41)49(39-21-26-42(51-2)27-22-39)40-23-28-45-46(31-40)48(37-18-16-33-10-4-6-12-35(33)30-37)44-14-8-7-13-43(44)47(45)36-17-15-32-9-3-5-11-34(32)29-36/h3-31H,1-2H3.

What are the key properties of N,N-bis(4-methoxyphenyl)-9,10-dinaphthalen-2-ylanthracen-2-amine?

N,N-bis(4-methoxyphenyl)-9,10-dinaphthalen-2-ylanthracen-2-amine has a molecular weight of 657.81 g/mol, XLogP of 13.12, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis(4-methoxyphenyl)-9,10-dinaphthalen-2-ylanthracen-2-amine is sourced from PubChem (CID 162497114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).