N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-4-yl)phenanthren-2-amine

C59H41N — CID 171453718

About N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-4-yl)phenanthren-2-amine

N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-4-yl)phenanthren-2-amine (PubChem CID 171453718) has the molecular formula C59H41N and a molecular weight of 763.98 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-4-yl)phenanthren-2-amine.

Molecular Properties

• Compound Name: N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-4-yl)phenanthren-2-amine
• PubChem CID: 171453718
• Molecular Formula: C59H41N
• Molecular Weight: 763.98 g/mol
• Exact Mass: 763.32
• IUPAC Name: N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-4-yl)phenanthren-2-amine
• SMILES: CC1(c2ccccc2)c2ccccc2-c2c(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4c(ccc5ccccc54)c3)cccc21
• InChI: InChI=1S/C59H41N/c1-58(42-19-5-2-6-20-42)52-28-15-14-27-51(52)57-54(58)30-17-31-56(57)60(45-34-36-48-41(38-45)33-32-40-18-11-12-25-47(40)48)46-35-37-50-49-26-13-16-29-53(49)59(55(50)39-46,43-21-7-3-8-22-43)44-23-9-4-10-24-44/h2-39H,1H3
• InChIKey: KLUYEAXFRFAUHG-UHFFFAOYSA-N
• XLogP: 15.16
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	763.98
LogP ≤ 5	15.16
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-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-4-yl)phenanthren-2-amine?

The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-4-yl)phenanthren-2-amine (CID 171453718) is N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-4-yl)phenanthren-2-amine.

What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-4-yl)phenanthren-2-amine?

The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-4-yl)phenanthren-2-amine is CC1(c2ccccc2)c2ccccc2-c2c(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4c(ccc5ccccc54)c3)cccc21.

What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-4-yl)phenanthren-2-amine?

The InChIKey is KLUYEAXFRFAUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41N/c1-58(42-19-5-2-6-20-42)52-28-15-14-27-51(52)57-54(58)30-17-31-56(57)60(45-34-36-48-41(38-45)33-32-40-18-11-12-25-47(40)48)46-35-37-50-49-26-13-16-29-53(49)59(55(50)39-46,43-21-7-3-8-22-43)44-23-9-4-10-24-44/h2-39H,1H3.

What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-4-yl)phenanthren-2-amine?

N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-4-yl)phenanthren-2-amine has a molecular weight of 763.98 g/mol, XLogP of 15.16, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-4-yl)phenanthren-2-amine is sourced from PubChem (CID 171453718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).