2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)-9H-fluoren-9-ylium-2,7-diamine

C41H35N2O4+ — CID 101171493

About 2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)-9H-fluoren-9-ylium-2,7-diamine

2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)-9H-fluoren-9-ylium-2,7-diamine (PubChem CID 101171493) has the molecular formula C41H35N2O4+ and a molecular weight of 619.74 g/mol. Its IUPAC name is 2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)-9H-fluoren-9-ylium-2,7-diamine.

Molecular Properties

• Compound Name: 2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)-9H-fluoren-9-ylium-2,7-diamine
• PubChem CID: 101171493
• Molecular Formula: C41H35N2O4+
• Molecular Weight: 619.74 g/mol
• Exact Mass: 619.26
• IUPAC Name: 2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)-9H-fluoren-9-ylium-2,7-diamine
• SMILES: COc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)[CH+]c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2-3)cc1
• InChI: InChI=1S/C41H35N2O4/c1-44-36-15-5-30(6-16-36)42(31-7-17-37(45-2)18-8-31)34-13-23-40-28(26-34)25-29-27-35(14-24-41(29)40)43(32-9-19-38(46-3)20-10-32)33-11-21-39(47-4)22-12-33/h5-27H,1-4H3/q+1
• InChIKey: YRFXJYMLCLHUPO-UHFFFAOYSA-N
• XLogP: 10.24
• TPSA: 43.40 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	619.74
LogP ≤ 5	10.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)-9H-fluoren-9-ylium-2,7-diamine?

The IUPAC name of 2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)-9H-fluoren-9-ylium-2,7-diamine (CID 101171493) is 2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)-9H-fluoren-9-ylium-2,7-diamine.

What is the SMILES notation for 2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)-9H-fluoren-9-ylium-2,7-diamine?

The canonical SMILES for 2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)-9H-fluoren-9-ylium-2,7-diamine is COc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)[CH+]c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2-3)cc1.

What is the InChIKey of 2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)-9H-fluoren-9-ylium-2,7-diamine?

The InChIKey is YRFXJYMLCLHUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H35N2O4/c1-44-36-15-5-30(6-16-36)42(31-7-17-37(45-2)18-8-31)34-13-23-40-28(26-34)25-29-27-35(14-24-41(29)40)43(32-9-19-38(46-3)20-10-32)33-11-21-39(47-4)22-12-33/h5-27H,1-4H3/q+1.

What are the key properties of 2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)-9H-fluoren-9-ylium-2,7-diamine?

2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)-9H-fluoren-9-ylium-2,7-diamine has a molecular weight of 619.74 g/mol, XLogP of 10.24, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)-9H-fluoren-9-ylium-2,7-diamine is sourced from PubChem (CID 101171493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).