2-N,7-N-di(anthracen-9-yl)-9-naphthalen-1-yl-2-N,7-N,9-triphenylfluorene-2,7-diamine

C69H46N2 — CID 58795238

About 2-N,7-N-di(anthracen-9-yl)-9-naphthalen-1-yl-2-N,7-N,9-triphenylfluorene-2,7-diamine

2-N,7-N-di(anthracen-9-yl)-9-naphthalen-1-yl-2-N,7-N,9-triphenylfluorene-2,7-diamine (PubChem CID 58795238) has the molecular formula C69H46N2 and a molecular weight of 903.14 g/mol. Its IUPAC name is 2-N,7-N-di(anthracen-9-yl)-9-naphthalen-1-yl-2-N,7-N,9-triphenylfluorene-2,7-diamine.

Molecular Properties

• Compound Name: 2-N,7-N-di(anthracen-9-yl)-9-naphthalen-1-yl-2-N,7-N,9-triphenylfluorene-2,7-diamine
• PubChem CID: 58795238
• Molecular Formula: C69H46N2
• Molecular Weight: 903.14 g/mol
• Exact Mass: 902.37
• IUPAC Name: 2-N,7-N-di(anthracen-9-yl)-9-naphthalen-1-yl-2-N,7-N,9-triphenylfluorene-2,7-diamine
• SMILES: c1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2cccc4ccccc24)c2cc(N(c4ccccc4)c4c5ccccc5cc5ccccc45)ccc2-3)c2c3ccccc3cc3ccccc23)cc1
• InChI: InChI=1S/C69H46N2/c1-4-27-52(28-5-1)69(64-38-20-26-47-21-10-15-33-57(47)64)65-45-55(70(53-29-6-2-7-30-53)67-58-34-16-11-22-48(58)43-49-23-12-17-35-59(49)67)39-41-62(65)63-42-40-56(46-66(63)69)71(54-31-8-3-9-32-54)68-60-36-18-13-24-50(60)44-51-25-14-19-37-61(51)68/h1-46H
• InChIKey: PYCJCCZJFULEDF-UHFFFAOYSA-N
• XLogP: 18.76
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	903.14
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 2-N,7-N-di(anthracen-9-yl)-9-naphthalen-1-yl-2-N,7-N,9-triphenylfluorene-2,7-diamine?

The IUPAC name of 2-N,7-N-di(anthracen-9-yl)-9-naphthalen-1-yl-2-N,7-N,9-triphenylfluorene-2,7-diamine (CID 58795238) is 2-N,7-N-di(anthracen-9-yl)-9-naphthalen-1-yl-2-N,7-N,9-triphenylfluorene-2,7-diamine.

What is the SMILES notation for 2-N,7-N-di(anthracen-9-yl)-9-naphthalen-1-yl-2-N,7-N,9-triphenylfluorene-2,7-diamine?

The canonical SMILES for 2-N,7-N-di(anthracen-9-yl)-9-naphthalen-1-yl-2-N,7-N,9-triphenylfluorene-2,7-diamine is c1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2cccc4ccccc24)c2cc(N(c4ccccc4)c4c5ccccc5cc5ccccc45)ccc2-3)c2c3ccccc3cc3ccccc23)cc1.

What is the InChIKey of 2-N,7-N-di(anthracen-9-yl)-9-naphthalen-1-yl-2-N,7-N,9-triphenylfluorene-2,7-diamine?

The InChIKey is PYCJCCZJFULEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H46N2/c1-4-27-52(28-5-1)69(64-38-20-26-47-21-10-15-33-57(47)64)65-45-55(70(53-29-6-2-7-30-53)67-58-34-16-11-22-48(58)43-49-23-12-17-35-59(49)67)39-41-62(65)63-42-40-56(46-66(63)69)71(54-31-8-3-9-32-54)68-60-36-18-13-24-50(60)44-51-25-14-19-37-61(51)68/h1-46H.

What are the key properties of 2-N,7-N-di(anthracen-9-yl)-9-naphthalen-1-yl-2-N,7-N,9-triphenylfluorene-2,7-diamine?

2-N,7-N-di(anthracen-9-yl)-9-naphthalen-1-yl-2-N,7-N,9-triphenylfluorene-2,7-diamine has a molecular weight of 903.14 g/mol, XLogP of 18.76, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,7-N-di(anthracen-9-yl)-9-naphthalen-1-yl-2-N,7-N,9-triphenylfluorene-2,7-diamine is sourced from PubChem (CID 58795238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).