N-(9-methyl-9-phenylfluoren-3-yl)-N-(9-methyl-9-phenylfluoren-4-yl)triphenylen-2-amine

C58H41N — CID 171453417

About N-(9-methyl-9-phenylfluoren-3-yl)-N-(9-methyl-9-phenylfluoren-4-yl)triphenylen-2-amine

N-(9-methyl-9-phenylfluoren-3-yl)-N-(9-methyl-9-phenylfluoren-4-yl)triphenylen-2-amine (PubChem CID 171453417) has the molecular formula C58H41N and a molecular weight of 751.97 g/mol. Its IUPAC name is N-(9-methyl-9-phenylfluoren-3-yl)-N-(9-methyl-9-phenylfluoren-4-yl)triphenylen-2-amine.

Molecular Properties

• Compound Name: N-(9-methyl-9-phenylfluoren-3-yl)-N-(9-methyl-9-phenylfluoren-4-yl)triphenylen-2-amine
• PubChem CID: 171453417
• Molecular Formula: C58H41N
• Molecular Weight: 751.97 g/mol
• Exact Mass: 751.32
• IUPAC Name: N-(9-methyl-9-phenylfluoren-3-yl)-N-(9-methyl-9-phenylfluoren-4-yl)triphenylen-2-amine
• SMILES: CC1(c2ccccc2)c2ccccc2-c2cc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cccc4c3-c3ccccc3C4(C)c3ccccc3)ccc21
• InChI: InChI=1S/C58H41N/c1-57(38-18-5-3-6-19-38)51-28-15-13-26-47(51)50-37-41(33-35-53(50)57)59(40-32-34-46-44-24-10-9-22-42(44)43-23-11-12-25-45(43)49(46)36-40)55-31-17-30-54-56(55)48-27-14-16-29-52(48)58(54,2)39-20-7-4-8-21-39/h3-37H,1-2H3
• InChIKey: LOMLOWOJPBIZBW-UHFFFAOYSA-N
• XLogP: 15.29
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	751.97
LogP ≤ 5	15.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

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-methyl-9-phenylfluoren-3-yl)-N-(9-methyl-9-phenylfluoren-4-yl)triphenylen-2-amine?

The IUPAC name of N-(9-methyl-9-phenylfluoren-3-yl)-N-(9-methyl-9-phenylfluoren-4-yl)triphenylen-2-amine (CID 171453417) is N-(9-methyl-9-phenylfluoren-3-yl)-N-(9-methyl-9-phenylfluoren-4-yl)triphenylen-2-amine.

What is the SMILES notation for N-(9-methyl-9-phenylfluoren-3-yl)-N-(9-methyl-9-phenylfluoren-4-yl)triphenylen-2-amine?

The canonical SMILES for N-(9-methyl-9-phenylfluoren-3-yl)-N-(9-methyl-9-phenylfluoren-4-yl)triphenylen-2-amine is CC1(c2ccccc2)c2ccccc2-c2cc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cccc4c3-c3ccccc3C4(C)c3ccccc3)ccc21.

What is the InChIKey of N-(9-methyl-9-phenylfluoren-3-yl)-N-(9-methyl-9-phenylfluoren-4-yl)triphenylen-2-amine?

The InChIKey is LOMLOWOJPBIZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41N/c1-57(38-18-5-3-6-19-38)51-28-15-13-26-47(51)50-37-41(33-35-53(50)57)59(40-32-34-46-44-24-10-9-22-42(44)43-23-11-12-25-45(43)49(46)36-40)55-31-17-30-54-56(55)48-27-14-16-29-52(48)58(54,2)39-20-7-4-8-21-39/h3-37H,1-2H3.

What are the key properties of N-(9-methyl-9-phenylfluoren-3-yl)-N-(9-methyl-9-phenylfluoren-4-yl)triphenylen-2-amine?

N-(9-methyl-9-phenylfluoren-3-yl)-N-(9-methyl-9-phenylfluoren-4-yl)triphenylen-2-amine has a molecular weight of 751.97 g/mol, XLogP of 15.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9-methyl-9-phenylfluoren-3-yl)-N-(9-methyl-9-phenylfluoren-4-yl)triphenylen-2-amine is sourced from PubChem (CID 171453417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).