6-(9H-acridin-10-yl)-N,N-bis(2-methylphenyl)-10-naphthalen-1-yl-9-(3-phenylnaphthalen-2-yl)anthracen-2-amine

C67H48N2 — CID 89090559

About 6-(9H-acridin-10-yl)-N,N-bis(2-methylphenyl)-10-naphthalen-1-yl-9-(3-phenylnaphthalen-2-yl)anthracen-2-amine

6-(9H-acridin-10-yl)-N,N-bis(2-methylphenyl)-10-naphthalen-1-yl-9-(3-phenylnaphthalen-2-yl)anthracen-2-amine (PubChem CID 89090559) has the molecular formula C67H48N2 and a molecular weight of 881.14 g/mol. Its IUPAC name is 6-(9H-acridin-10-yl)-N,N-bis(2-methylphenyl)-10-naphthalen-1-yl-9-(3-phenylnaphthalen-2-yl)anthracen-2-amine.

Molecular Properties

• Compound Name: 6-(9H-acridin-10-yl)-N,N-bis(2-methylphenyl)-10-naphthalen-1-yl-9-(3-phenylnaphthalen-2-yl)anthracen-2-amine
• PubChem CID: 89090559
• Molecular Formula: C67H48N2
• Molecular Weight: 881.14 g/mol
• Exact Mass: 880.38
• IUPAC Name: 6-(9H-acridin-10-yl)-N,N-bis(2-methylphenyl)-10-naphthalen-1-yl-9-(3-phenylnaphthalen-2-yl)anthracen-2-amine
• SMILES: Cc1ccccc1N(c1ccc2c(-c3cccc4ccccc34)c3cc(N4c5ccccc5Cc5ccccc54)ccc3c(-c3cc4ccccc4cc3-c3ccccc3)c2c1)c1ccccc1C
• InChI: InChI=1S/C67H48N2/c1-44-19-6-14-31-62(44)68(63-32-15-7-20-45(63)2)52-35-37-56-61(42-52)67(59-41-49-25-9-8-24-48(49)40-58(59)47-21-4-3-5-22-47)57-38-36-53(43-60(57)66(56)55-30-18-28-46-23-10-13-29-54(46)55)69-64-33-16-11-26-50(64)39-51-27-12-17-34-65(51)69/h3-38,40-43H,39H2,1-2H3
• InChIKey: IEEDQOXLAMLPKD-UHFFFAOYSA-N
• XLogP: 18.76
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	881.14
LogP ≤ 5	18.76
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 6-(9H-acridin-10-yl)-N,N-bis(2-methylphenyl)-10-naphthalen-1-yl-9-(3-phenylnaphthalen-2-yl)anthracen-2-amine?

The IUPAC name of 6-(9H-acridin-10-yl)-N,N-bis(2-methylphenyl)-10-naphthalen-1-yl-9-(3-phenylnaphthalen-2-yl)anthracen-2-amine (CID 89090559) is 6-(9H-acridin-10-yl)-N,N-bis(2-methylphenyl)-10-naphthalen-1-yl-9-(3-phenylnaphthalen-2-yl)anthracen-2-amine.

What is the SMILES notation for 6-(9H-acridin-10-yl)-N,N-bis(2-methylphenyl)-10-naphthalen-1-yl-9-(3-phenylnaphthalen-2-yl)anthracen-2-amine?

The canonical SMILES for 6-(9H-acridin-10-yl)-N,N-bis(2-methylphenyl)-10-naphthalen-1-yl-9-(3-phenylnaphthalen-2-yl)anthracen-2-amine is Cc1ccccc1N(c1ccc2c(-c3cccc4ccccc34)c3cc(N4c5ccccc5Cc5ccccc54)ccc3c(-c3cc4ccccc4cc3-c3ccccc3)c2c1)c1ccccc1C.

What is the InChIKey of 6-(9H-acridin-10-yl)-N,N-bis(2-methylphenyl)-10-naphthalen-1-yl-9-(3-phenylnaphthalen-2-yl)anthracen-2-amine?

The InChIKey is IEEDQOXLAMLPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H48N2/c1-44-19-6-14-31-62(44)68(63-32-15-7-20-45(63)2)52-35-37-56-61(42-52)67(59-41-49-25-9-8-24-48(49)40-58(59)47-21-4-3-5-22-47)57-38-36-53(43-60(57)66(56)55-30-18-28-46-23-10-13-29-54(46)55)69-64-33-16-11-26-50(64)39-51-27-12-17-34-65(51)69/h3-38,40-43H,39H2,1-2H3.

What are the key properties of 6-(9H-acridin-10-yl)-N,N-bis(2-methylphenyl)-10-naphthalen-1-yl-9-(3-phenylnaphthalen-2-yl)anthracen-2-amine?

6-(9H-acridin-10-yl)-N,N-bis(2-methylphenyl)-10-naphthalen-1-yl-9-(3-phenylnaphthalen-2-yl)anthracen-2-amine has a molecular weight of 881.14 g/mol, XLogP of 18.76, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(9H-acridin-10-yl)-N,N-bis(2-methylphenyl)-10-naphthalen-1-yl-9-(3-phenylnaphthalen-2-yl)anthracen-2-amine is sourced from PubChem (CID 89090559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).