9-naphthalen-1-yl-10-naphthalen-2-yl-2-N,6-N-diphenyl-2-N,6-N-bis(2-phenylphenyl)anthracene-2,6-diamine

C70H48N2 — CID 59766175

About 9-naphthalen-1-yl-10-naphthalen-2-yl-2-N,6-N-diphenyl-2-N,6-N-bis(2-phenylphenyl)anthracene-2,6-diamine

9-naphthalen-1-yl-10-naphthalen-2-yl-2-N,6-N-diphenyl-2-N,6-N-bis(2-phenylphenyl)anthracene-2,6-diamine (PubChem CID 59766175) has the molecular formula C70H48N2 and a molecular weight of 917.17 g/mol. Its IUPAC name is 9-naphthalen-1-yl-10-naphthalen-2-yl-2-N,6-N-diphenyl-2-N,6-N-bis(2-phenylphenyl)anthracene-2,6-diamine.

Molecular Properties

• Compound Name: 9-naphthalen-1-yl-10-naphthalen-2-yl-2-N,6-N-diphenyl-2-N,6-N-bis(2-phenylphenyl)anthracene-2,6-diamine
• PubChem CID: 59766175
• Molecular Formula: C70H48N2
• Molecular Weight: 917.17 g/mol
• Exact Mass: 916.38
• IUPAC Name: 9-naphthalen-1-yl-10-naphthalen-2-yl-2-N,6-N-diphenyl-2-N,6-N-bis(2-phenylphenyl)anthracene-2,6-diamine
• SMILES: c1ccc(-c2ccccc2N(c2ccccc2)c2ccc3c(-c4cccc5ccccc45)c4cc(N(c5ccccc5)c5ccccc5-c5ccccc5)ccc4c(-c4ccc5ccccc5c4)c3c2)cc1
• InChI: InChI=1S/C70H48N2/c1-5-23-51(24-6-1)60-35-17-19-38-67(60)71(55-30-9-3-10-31-55)57-43-45-64-65(47-57)69(54-41-40-49-22-13-14-28-53(49)46-54)63-44-42-58(48-66(63)70(64)62-37-21-29-50-27-15-16-34-59(50)62)72(56-32-11-4-12-33-56)68-39-20-18-36-61(68)52-25-7-2-8-26-52/h1-48H
• InChIKey: YOFMIWWKVBWCID-UHFFFAOYSA-N
• XLogP: 19.91
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	917.17
LogP ≤ 5	19.91
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-naphthalen-1-yl-10-naphthalen-2-yl-2-N,6-N-diphenyl-2-N,6-N-bis(2-phenylphenyl)anthracene-2,6-diamine?

The IUPAC name of 9-naphthalen-1-yl-10-naphthalen-2-yl-2-N,6-N-diphenyl-2-N,6-N-bis(2-phenylphenyl)anthracene-2,6-diamine (CID 59766175) is 9-naphthalen-1-yl-10-naphthalen-2-yl-2-N,6-N-diphenyl-2-N,6-N-bis(2-phenylphenyl)anthracene-2,6-diamine.

What is the SMILES notation for 9-naphthalen-1-yl-10-naphthalen-2-yl-2-N,6-N-diphenyl-2-N,6-N-bis(2-phenylphenyl)anthracene-2,6-diamine?

The canonical SMILES for 9-naphthalen-1-yl-10-naphthalen-2-yl-2-N,6-N-diphenyl-2-N,6-N-bis(2-phenylphenyl)anthracene-2,6-diamine is c1ccc(-c2ccccc2N(c2ccccc2)c2ccc3c(-c4cccc5ccccc45)c4cc(N(c5ccccc5)c5ccccc5-c5ccccc5)ccc4c(-c4ccc5ccccc5c4)c3c2)cc1.

What is the InChIKey of 9-naphthalen-1-yl-10-naphthalen-2-yl-2-N,6-N-diphenyl-2-N,6-N-bis(2-phenylphenyl)anthracene-2,6-diamine?

The InChIKey is YOFMIWWKVBWCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H48N2/c1-5-23-51(24-6-1)60-35-17-19-38-67(60)71(55-30-9-3-10-31-55)57-43-45-64-65(47-57)69(54-41-40-49-22-13-14-28-53(49)46-54)63-44-42-58(48-66(63)70(64)62-37-21-29-50-27-15-16-34-59(50)62)72(56-32-11-4-12-33-56)68-39-20-18-36-61(68)52-25-7-2-8-26-52/h1-48H.

What are the key properties of 9-naphthalen-1-yl-10-naphthalen-2-yl-2-N,6-N-diphenyl-2-N,6-N-bis(2-phenylphenyl)anthracene-2,6-diamine?

9-naphthalen-1-yl-10-naphthalen-2-yl-2-N,6-N-diphenyl-2-N,6-N-bis(2-phenylphenyl)anthracene-2,6-diamine has a molecular weight of 917.17 g/mol, XLogP of 19.91, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-naphthalen-1-yl-10-naphthalen-2-yl-2-N,6-N-diphenyl-2-N,6-N-bis(2-phenylphenyl)anthracene-2,6-diamine is sourced from PubChem (CID 59766175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).