1-[9-phenyl-10-(4-phenylnaphthalen-1-yl)-6-(3,4,7,8-tetrahydro-2H-quinolin-1-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline

C54H44N2 — CID 89110888

About 1-[9-phenyl-10-(4-phenylnaphthalen-1-yl)-6-(3,4,7,8-tetrahydro-2H-quinolin-1-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline

1-[9-phenyl-10-(4-phenylnaphthalen-1-yl)-6-(3,4,7,8-tetrahydro-2H-quinolin-1-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline (PubChem CID 89110888) has the molecular formula C54H44N2 and a molecular weight of 720.96 g/mol. Its IUPAC name is 1-[9-phenyl-10-(4-phenylnaphthalen-1-yl)-6-(3,4,7,8-tetrahydro-2H-quinolin-1-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline.

Molecular Properties

• Compound Name: 1-[9-phenyl-10-(4-phenylnaphthalen-1-yl)-6-(3,4,7,8-tetrahydro-2H-quinolin-1-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline
• PubChem CID: 89110888
• Molecular Formula: C54H44N2
• Molecular Weight: 720.96 g/mol
• Exact Mass: 720.35
• IUPAC Name: 1-[9-phenyl-10-(4-phenylnaphthalen-1-yl)-6-(3,4,7,8-tetrahydro-2H-quinolin-1-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline
• SMILES: C1=CC2=C(CC1)N(c1ccc3c(-c4ccccc4)c4cc(N5CCCc6ccccc65)ccc4c(-c4ccc(-c5ccccc5)c5ccccc45)c3c1)CCC2
• InChI: InChI=1S/C54H44N2/c1-3-15-37(16-4-1)43-31-32-46(45-24-10-9-23-44(43)45)54-48-30-28-41(55-33-13-21-38-17-7-11-25-51(38)55)35-49(48)53(40-19-5-2-6-20-40)47-29-27-42(36-50(47)54)56-34-14-22-39-18-8-12-26-52(39)56/h1-11,15-20,23-25,27-32,35-36H,12-14,21-22,26,33-34H2
• InChIKey: ABJNVHUJCAQIMD-UHFFFAOYSA-N
• XLogP: 14.44
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	720.96
LogP ≤ 5	14.44
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-[9-phenyl-10-(4-phenylnaphthalen-1-yl)-6-(3,4,7,8-tetrahydro-2H-quinolin-1-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline?

The IUPAC name of 1-[9-phenyl-10-(4-phenylnaphthalen-1-yl)-6-(3,4,7,8-tetrahydro-2H-quinolin-1-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline (CID 89110888) is 1-[9-phenyl-10-(4-phenylnaphthalen-1-yl)-6-(3,4,7,8-tetrahydro-2H-quinolin-1-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline.

What is the SMILES notation for 1-[9-phenyl-10-(4-phenylnaphthalen-1-yl)-6-(3,4,7,8-tetrahydro-2H-quinolin-1-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline?

The canonical SMILES for 1-[9-phenyl-10-(4-phenylnaphthalen-1-yl)-6-(3,4,7,8-tetrahydro-2H-quinolin-1-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline is C1=CC2=C(CC1)N(c1ccc3c(-c4ccccc4)c4cc(N5CCCc6ccccc65)ccc4c(-c4ccc(-c5ccccc5)c5ccccc45)c3c1)CCC2.

What is the InChIKey of 1-[9-phenyl-10-(4-phenylnaphthalen-1-yl)-6-(3,4,7,8-tetrahydro-2H-quinolin-1-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline?

The InChIKey is ABJNVHUJCAQIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H44N2/c1-3-15-37(16-4-1)43-31-32-46(45-24-10-9-23-44(43)45)54-48-30-28-41(55-33-13-21-38-17-7-11-25-51(38)55)35-49(48)53(40-19-5-2-6-20-40)47-29-27-42(36-50(47)54)56-34-14-22-39-18-8-12-26-52(39)56/h1-11,15-20,23-25,27-32,35-36H,12-14,21-22,26,33-34H2.

What are the key properties of 1-[9-phenyl-10-(4-phenylnaphthalen-1-yl)-6-(3,4,7,8-tetrahydro-2H-quinolin-1-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline?

1-[9-phenyl-10-(4-phenylnaphthalen-1-yl)-6-(3,4,7,8-tetrahydro-2H-quinolin-1-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline has a molecular weight of 720.96 g/mol, XLogP of 14.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[9-phenyl-10-(4-phenylnaphthalen-1-yl)-6-(3,4,7,8-tetrahydro-2H-quinolin-1-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 89110888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).