N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N,9-diphenylfluoren-3-amine

C58H41N — CID 169063655

About N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N,9-diphenylfluoren-3-amine

N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N,9-diphenylfluoren-3-amine (PubChem CID 169063655) has the molecular formula C58H41N and a molecular weight of 751.97 g/mol. Its IUPAC name is N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N,9-diphenylfluoren-3-amine.

Molecular Properties

• Compound Name: N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N,9-diphenylfluoren-3-amine
• PubChem CID: 169063655
• Molecular Formula: C58H41N
• Molecular Weight: 751.97 g/mol
• Exact Mass: 751.32
• IUPAC Name: N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N,9-diphenylfluoren-3-amine
• SMILES: CC1(c2ccccc2)c2ccccc2-c2cc(N(c3ccccc3)c3cccc(-c4ccc5c(c4)c(-c4ccccc4)c(-c4ccccc4)c4ccccc45)c3)ccc21
• InChI: InChI=1S/C58H41N/c1-58(44-24-10-4-11-25-44)54-32-17-16-30-50(54)52-39-47(34-36-55(52)58)59(45-26-12-5-13-27-45)46-28-18-23-42(37-46)43-33-35-49-48-29-14-15-31-51(48)56(40-19-6-2-7-20-40)57(53(49)38-43)41-21-8-3-9-22-41/h2-39H,1H3
• InChIKey: QTPASPWHBHRZHK-UHFFFAOYSA-N
• XLogP: 15.80
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	751.97
LogP ≤ 5	15.80
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-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N,9-diphenylfluoren-3-amine?

The IUPAC name of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N,9-diphenylfluoren-3-amine (CID 169063655) is N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N,9-diphenylfluoren-3-amine.

What is the SMILES notation for N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N,9-diphenylfluoren-3-amine?

The canonical SMILES for N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N,9-diphenylfluoren-3-amine is CC1(c2ccccc2)c2ccccc2-c2cc(N(c3ccccc3)c3cccc(-c4ccc5c(c4)c(-c4ccccc4)c(-c4ccccc4)c4ccccc45)c3)ccc21.

What is the InChIKey of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N,9-diphenylfluoren-3-amine?

The InChIKey is QTPASPWHBHRZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41N/c1-58(44-24-10-4-11-25-44)54-32-17-16-30-50(54)52-39-47(34-36-55(52)58)59(45-26-12-5-13-27-45)46-28-18-23-42(37-46)43-33-35-49-48-29-14-15-31-51(48)56(40-19-6-2-7-20-40)57(53(49)38-43)41-21-8-3-9-22-41/h2-39H,1H3.

What are the key properties of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N,9-diphenylfluoren-3-amine?

N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N,9-diphenylfluoren-3-amine has a molecular weight of 751.97 g/mol, XLogP of 15.80, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N,9-diphenylfluoren-3-amine is sourced from PubChem (CID 169063655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).