9,10-dinaphthalen-2-yl-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-N-(4-phenylphenyl)anthracen-2-amine

C76H49N — CID 58963420

About 9,10-dinaphthalen-2-yl-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-N-(4-phenylphenyl)anthracen-2-amine

9,10-dinaphthalen-2-yl-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-N-(4-phenylphenyl)anthracen-2-amine (PubChem CID 58963420) has the molecular formula C76H49N and a molecular weight of 976.24 g/mol. Its IUPAC name is 9,10-dinaphthalen-2-yl-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-N-(4-phenylphenyl)anthracen-2-amine.

Molecular Properties

• Compound Name: 9,10-dinaphthalen-2-yl-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-N-(4-phenylphenyl)anthracen-2-amine
• PubChem CID: 58963420
• Molecular Formula: C76H49N
• Molecular Weight: 976.24 g/mol
• Exact Mass: 975.39
• IUPAC Name: 9,10-dinaphthalen-2-yl-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-N-(4-phenylphenyl)anthracen-2-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3)c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc2)cc1
• InChI: InChI=1S/C76H49N/c1-2-16-50(17-3-1)54-36-40-62(41-37-54)77(63-42-38-55(39-43-63)73-65-24-10-12-26-67(65)74(68-27-13-11-25-66(68)73)59-33-30-51-18-4-7-21-56(51)46-59)64-44-45-71-72(49-64)76(61-35-32-53-20-6-9-23-58(53)48-61)70-29-15-14-28-69(70)75(71)60-34-31-52-19-5-8-22-57(52)47-60/h1-49H
• InChIKey: XLCADUNVXPFEHW-UHFFFAOYSA-N
• XLogP: 21.56
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	976.24
LogP ≤ 5	21.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

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-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-N-(4-phenylphenyl)anthracen-2-amine?

The IUPAC name of 9,10-dinaphthalen-2-yl-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-N-(4-phenylphenyl)anthracen-2-amine (CID 58963420) is 9,10-dinaphthalen-2-yl-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-N-(4-phenylphenyl)anthracen-2-amine.

What is the SMILES notation for 9,10-dinaphthalen-2-yl-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-N-(4-phenylphenyl)anthracen-2-amine?

The canonical SMILES for 9,10-dinaphthalen-2-yl-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-N-(4-phenylphenyl)anthracen-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3)c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc2)cc1.

What is the InChIKey of 9,10-dinaphthalen-2-yl-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-N-(4-phenylphenyl)anthracen-2-amine?

The InChIKey is XLCADUNVXPFEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H49N/c1-2-16-50(17-3-1)54-36-40-62(41-37-54)77(63-42-38-55(39-43-63)73-65-24-10-12-26-67(65)74(68-27-13-11-25-66(68)73)59-33-30-51-18-4-7-21-56(51)46-59)64-44-45-71-72(49-64)76(61-35-32-53-20-6-9-23-58(53)48-61)70-29-15-14-28-69(70)75(71)60-34-31-52-19-5-8-22-57(52)47-60/h1-49H.

What are the key properties of 9,10-dinaphthalen-2-yl-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-N-(4-phenylphenyl)anthracen-2-amine?

9,10-dinaphthalen-2-yl-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-N-(4-phenylphenyl)anthracen-2-amine has a molecular weight of 976.24 g/mol, XLogP of 21.56, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9,10-dinaphthalen-2-yl-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-N-(4-phenylphenyl)anthracen-2-amine is sourced from PubChem (CID 58963420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).