1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-(3,4-dimethylphenyl)-10-naphthalen-2-yl-2,3-dihydroanthracen-2-yl]-3,4-dihydro-2H-quinoline

C50H44N2 — CID 70930466

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

1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-(3,4-dimethylphenyl)-10-naphthalen-2-yl-2,3-dihydroanthracen-2-yl]-3,4-dihydro-2H-quinoline (PubChem CID 70930466) has the molecular formula C50H44N2 and a molecular weight of 672.92 g/mol. Its IUPAC name is 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-(3,4-dimethylphenyl)-10-naphthalen-2-yl-2,3-dihydroanthracen-2-yl]-3,4-dihydro-2H-quinoline.

Molecular Properties

• Compound Name: 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-(3,4-dimethylphenyl)-10-naphthalen-2-yl-2,3-dihydroanthracen-2-yl]-3,4-dihydro-2H-quinoline
• PubChem CID: 70930466
• Molecular Formula: C50H44N2
• Molecular Weight: 672.92 g/mol
• Exact Mass: 672.35
• IUPAC Name: 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-(3,4-dimethylphenyl)-10-naphthalen-2-yl-2,3-dihydroanthracen-2-yl]-3,4-dihydro-2H-quinoline
• SMILES: Cc1ccc(-c2c3c(c(-c4ccc5ccccc5c4)c4cc(N5CCCc6ccccc65)ccc24)=CCC(N2CCCc4ccccc42)C=3)cc1C
• InChI: InChI=1S/C50H44N2/c1-33-19-20-39(29-34(33)2)49-43-25-23-42(52-28-10-16-37-13-6-8-18-48(37)52)32-46(43)50(40-22-21-35-11-3-4-14-38(35)30-40)44-26-24-41(31-45(44)49)51-27-9-15-36-12-5-7-17-47(36)51/h3-8,11-14,17-23,25-26,29-32,41H,9-10,15-16,24,27-28H2,1-2H3
• InChIKey: OPEXRSBRDKLCRY-UHFFFAOYSA-N
• XLogP: 10.81
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	672.92
LogP ≤ 5	10.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-(3,4-dimethylphenyl)-10-naphthalen-2-yl-2,3-dihydroanthracen-2-yl]-3,4-dihydro-2H-quinoline (CID 70930466) is 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-(3,4-dimethylphenyl)-10-naphthalen-2-yl-2,3-dihydroanthracen-2-yl]-3,4-dihydro-2H-quinoline.

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

The canonical SMILES for 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-(3,4-dimethylphenyl)-10-naphthalen-2-yl-2,3-dihydroanthracen-2-yl]-3,4-dihydro-2H-quinoline is Cc1ccc(-c2c3c(c(-c4ccc5ccccc5c4)c4cc(N5CCCc6ccccc65)ccc24)=CCC(N2CCCc4ccccc42)C=3)cc1C.

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

The InChIKey is OPEXRSBRDKLCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H44N2/c1-33-19-20-39(29-34(33)2)49-43-25-23-42(52-28-10-16-37-13-6-8-18-48(37)52)32-46(43)50(40-22-21-35-11-3-4-14-38(35)30-40)44-26-24-41(31-45(44)49)51-27-9-15-36-12-5-7-17-47(36)51/h3-8,11-14,17-23,25-26,29-32,41H,9-10,15-16,24,27-28H2,1-2H3.

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

1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-(3,4-dimethylphenyl)-10-naphthalen-2-yl-2,3-dihydroanthracen-2-yl]-3,4-dihydro-2H-quinoline has a molecular weight of 672.92 g/mol, XLogP of 10.81, 4 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-(3,4-dimethylphenyl)-10-naphthalen-2-yl-2,3-dihydroanthracen-2-yl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 70930466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).