N,9,9-triphenyl-N-[4-(8-phenylphenanthren-9-yl)phenyl]fluoren-2-amine

C57H39N — CID 146631646

About N,9,9-triphenyl-N-[4-(8-phenylphenanthren-9-yl)phenyl]fluoren-2-amine

N,9,9-triphenyl-N-[4-(8-phenylphenanthren-9-yl)phenyl]fluoren-2-amine (PubChem CID 146631646) has the molecular formula C57H39N and a molecular weight of 737.95 g/mol. Its IUPAC name is N,9,9-triphenyl-N-[4-(8-phenylphenanthren-9-yl)phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: N,9,9-triphenyl-N-[4-(8-phenylphenanthren-9-yl)phenyl]fluoren-2-amine
• PubChem CID: 146631646
• Molecular Formula: C57H39N
• Molecular Weight: 737.95 g/mol
• Exact Mass: 737.31
• IUPAC Name: N,9,9-triphenyl-N-[4-(8-phenylphenanthren-9-yl)phenyl]fluoren-2-amine
• SMILES: c1ccc(-c2cccc3c2c(-c2ccc(N(c4ccccc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc2)cc2ccccc23)cc1
• InChI: InChI=1S/C57H39N/c1-5-18-40(19-6-1)49-29-17-30-52-48-27-14-13-20-42(48)38-53(56(49)52)41-32-34-46(35-33-41)58(45-25-11-4-12-26-45)47-36-37-51-50-28-15-16-31-54(50)57(55(51)39-47,43-21-7-2-8-22-43)44-23-9-3-10-24-44/h1-39H
• InChIKey: ZCJGAMMCYXRYPT-UHFFFAOYSA-N
• XLogP: 15.16
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	737.95
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-triphenyl-N-[4-(8-phenylphenanthren-9-yl)phenyl]fluoren-2-amine?

The IUPAC name of N,9,9-triphenyl-N-[4-(8-phenylphenanthren-9-yl)phenyl]fluoren-2-amine (CID 146631646) is N,9,9-triphenyl-N-[4-(8-phenylphenanthren-9-yl)phenyl]fluoren-2-amine.

What is the SMILES notation for N,9,9-triphenyl-N-[4-(8-phenylphenanthren-9-yl)phenyl]fluoren-2-amine?

The canonical SMILES for N,9,9-triphenyl-N-[4-(8-phenylphenanthren-9-yl)phenyl]fluoren-2-amine is c1ccc(-c2cccc3c2c(-c2ccc(N(c4ccccc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc2)cc2ccccc23)cc1.

What is the InChIKey of N,9,9-triphenyl-N-[4-(8-phenylphenanthren-9-yl)phenyl]fluoren-2-amine?

The InChIKey is ZCJGAMMCYXRYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39N/c1-5-18-40(19-6-1)49-29-17-30-52-48-27-14-13-20-42(48)38-53(56(49)52)41-32-34-46(35-33-41)58(45-25-11-4-12-26-45)47-36-37-51-50-28-15-16-31-54(50)57(55(51)39-47,43-21-7-2-8-22-43)44-23-9-3-10-24-44/h1-39H.

What are the key properties of N,9,9-triphenyl-N-[4-(8-phenylphenanthren-9-yl)phenyl]fluoren-2-amine?

N,9,9-triphenyl-N-[4-(8-phenylphenanthren-9-yl)phenyl]fluoren-2-amine has a molecular weight of 737.95 g/mol, XLogP of 15.16, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N,9,9-triphenyl-N-[4-(8-phenylphenanthren-9-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 146631646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).