N-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine

C59H39NO — CID 169296132

About N-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine

N-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine (PubChem CID 169296132) has the molecular formula C59H39NO and a molecular weight of 777.97 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine
• PubChem CID: 169296132
• Molecular Formula: C59H39NO
• Molecular Weight: 777.97 g/mol
• Exact Mass: 777.30
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)oc3c(-c5ccc6ccccc6c5)c5ccccc5cc34)c3ccc4c5ccccc5c5ccccc5c4c3)cc21
• InChI: InChI=1S/C59H39NO/c1-59(2)54-22-12-11-21-49(54)50-29-26-41(34-55(50)59)60(40-25-28-48-46-19-8-7-17-44(46)45-18-9-10-20-47(45)52(48)33-40)42-27-30-51-53-32-38-15-5-6-16-43(38)57(58(53)61-56(51)35-42)39-24-23-36-13-3-4-14-37(36)31-39/h3-35H,1-2H3
• InChIKey: PMNFFPVJFGXNBG-UHFFFAOYSA-N
• XLogP: 16.80
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	777.97
LogP ≤ 5	16.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine (CID 169296132) is N-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)oc3c(-c5ccc6ccccc6c5)c5ccccc5cc34)c3ccc4c5ccccc5c5ccccc5c4c3)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine?

The InChIKey is PMNFFPVJFGXNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39NO/c1-59(2)54-22-12-11-21-49(54)50-29-26-41(34-55(50)59)60(40-25-28-48-46-19-8-7-17-44(46)45-18-9-10-20-47(45)52(48)33-40)42-27-30-51-53-32-38-15-5-6-16-43(38)57(58(53)61-56(51)35-42)39-24-23-36-13-3-4-14-37(36)31-39/h3-35H,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine?

N-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine has a molecular weight of 777.97 g/mol, XLogP of 16.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine is sourced from PubChem (CID 169296132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).