3-phenyl-1-[3-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]benzo[f]quinoline

C51H33N — CID 146185541

About 3-phenyl-1-[3-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]benzo[f]quinoline

3-phenyl-1-[3-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]benzo[f]quinoline (PubChem CID 146185541) has the molecular formula C51H33N and a molecular weight of 659.83 g/mol. Its IUPAC name is 3-phenyl-1-[3-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]benzo[f]quinoline.

Molecular Properties

• Compound Name: 3-phenyl-1-[3-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]benzo[f]quinoline
• PubChem CID: 146185541
• Molecular Formula: C51H33N
• Molecular Weight: 659.83 g/mol
• Exact Mass: 659.26
• IUPAC Name: 3-phenyl-1-[3-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]benzo[f]quinoline
• SMILES: c1ccc(-c2cc(-c3cccc(-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)c3)c3c(ccc4ccccc43)n2)cc1
• InChI: InChI=1S/C51H33N/c1-3-15-36(16-4-1)48-33-46(51-41-21-8-7-14-35(41)30-31-47(51)52-48)40-20-13-19-39(32-40)34-26-28-38(29-27-34)50-44-24-11-9-22-42(44)49(37-17-5-2-6-18-37)43-23-10-12-25-45(43)50/h1-33H
• InChIKey: AMXQDPRTCNAXQN-UHFFFAOYSA-N
• XLogP: 14.03
• TPSA: 12.89 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	659.83
LogP ≤ 5	14.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[3-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]benzo[f]quinoline?

The IUPAC name of 3-phenyl-1-[3-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]benzo[f]quinoline (CID 146185541) is 3-phenyl-1-[3-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]benzo[f]quinoline.

What is the SMILES notation for 3-phenyl-1-[3-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]benzo[f]quinoline?

The canonical SMILES for 3-phenyl-1-[3-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]benzo[f]quinoline is c1ccc(-c2cc(-c3cccc(-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)c3)c3c(ccc4ccccc43)n2)cc1.

What is the InChIKey of 3-phenyl-1-[3-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]benzo[f]quinoline?

The InChIKey is AMXQDPRTCNAXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N/c1-3-15-36(16-4-1)48-33-46(51-41-21-8-7-14-35(41)30-31-47(51)52-48)40-20-13-19-39(32-40)34-26-28-38(29-27-34)50-44-24-11-9-22-42(44)49(37-17-5-2-6-18-37)43-23-10-12-25-45(43)50/h1-33H.

What are the key properties of 3-phenyl-1-[3-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]benzo[f]quinoline?

3-phenyl-1-[3-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]benzo[f]quinoline has a molecular weight of 659.83 g/mol, XLogP of 14.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3-phenyl-1-[3-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]benzo[f]quinoline is sourced from PubChem (CID 146185541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).