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

C58H46N2 — CID 89111173

About 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-naphthalen-1-yl-10-(4-naphthalen-2-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-(4-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline (PubChem CID 89111173) 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-(4-naphthalen-2-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-(4-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline
• PubChem CID: 89111173
• 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-(4-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline
• SMILES: C1=C(c2ccc3ccccc3c2)CCC(c2c3cc(N4CCCc5ccccc54)ccc3c(-c3cccc4ccccc34)c3cc(N4CCCc5ccccc54)ccc23)=C1
• InChI: InChI=1S/C58H46N2/c1-2-16-45-36-46(29-26-39(45)12-1)40-24-27-44(28-25-40)57-51-32-30-48(60-35-11-19-43-15-5-8-23-56(43)60)38-54(51)58(50-21-9-17-41-13-3-6-20-49(41)50)52-33-31-47(37-53(52)57)59-34-10-18-42-14-4-7-22-55(42)59/h1-9,12-17,20-24,26-27,29-33,36-38H,10-11,18-19,25,28,34-35H2
• InChIKey: SZARVFZGSQHXHI-UHFFFAOYSA-N
• XLogP: 15.40
• 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	15.40
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-(4-naphthalen-2-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-(4-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline (CID 89111173) is 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-naphthalen-1-yl-10-(4-naphthalen-2-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-(4-naphthalen-2-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-(4-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline is C1=C(c2ccc3ccccc3c2)CCC(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-(4-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline?

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

What are the key properties of 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-naphthalen-1-yl-10-(4-naphthalen-2-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-(4-naphthalen-2-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 15.40, 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-(4-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 89111173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).