1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-naphthalen-1-yl-10-(6-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline

C58H46N2 — CID 89110917

About 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-naphthalen-1-yl-10-(6-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline

1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-naphthalen-1-yl-10-(6-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline (PubChem CID 89110917) has the molecular formula C58H46N2 and a molecular weight of 771.02 g/mol. Its IUPAC name is 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-naphthalen-1-yl-10-(6-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline.

Molecular Properties

• Compound Name: 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-naphthalen-1-yl-10-(6-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline
• PubChem CID: 89110917
• Molecular Formula: C58H46N2
• Molecular Weight: 771.02 g/mol
• Exact Mass: 770.37
• IUPAC Name: 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-naphthalen-1-yl-10-(6-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline
• SMILES: C1=CCC(c2cccc3ccccc23)C(c2c3cc(N4CCCc5ccccc54)ccc3c(-c3cccc4ccccc34)c3cc(N4CCCc5ccccc54)ccc23)=C1
• InChI: InChI=1S/C58H46N2/c1-5-23-45-39(15-1)19-11-27-47(45)48-25-7-8-26-50(48)58-52-34-32-43(59-35-13-21-41-17-3-9-29-55(41)59)37-53(52)57(49-28-12-20-40-16-2-6-24-46(40)49)51-33-31-44(38-54(51)58)60-36-14-22-42-18-4-10-30-56(42)60/h1-12,15-20,23-24,26-34,37-38,48H,13-14,21-22,25,35-36H2
• InChIKey: UNZMYUHXNNUABI-UHFFFAOYSA-N
• XLogP: 15.26
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	771.02
LogP ≤ 5	15.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-naphthalen-1-yl-10-(6-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline?

The IUPAC name of 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-naphthalen-1-yl-10-(6-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline (CID 89110917) is 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-naphthalen-1-yl-10-(6-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline.

What is the SMILES notation for 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-naphthalen-1-yl-10-(6-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline?

The canonical SMILES for 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-naphthalen-1-yl-10-(6-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline is C1=CCC(c2cccc3ccccc23)C(c2c3cc(N4CCCc5ccccc54)ccc3c(-c3cccc4ccccc34)c3cc(N4CCCc5ccccc54)ccc23)=C1.

What is the InChIKey of 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-naphthalen-1-yl-10-(6-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline?

The InChIKey is UNZMYUHXNNUABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H46N2/c1-5-23-45-39(15-1)19-11-27-47(45)48-25-7-8-26-50(48)58-52-34-32-43(59-35-13-21-41-17-3-9-29-55(41)59)37-53(52)57(49-28-12-20-40-16-2-6-24-46(40)49)51-33-31-44(38-54(51)58)60-36-14-22-42-18-4-10-30-56(42)60/h1-12,15-20,23-24,26-34,37-38,48H,13-14,21-22,25,35-36H2.

What are the key properties of 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-naphthalen-1-yl-10-(6-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline?

1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-naphthalen-1-yl-10-(6-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline has a molecular weight of 771.02 g/mol, XLogP of 15.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-naphthalen-1-yl-10-(6-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 89110917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).