1-[9,10-dipyridin-2-yl-6-(2,2,3,3-tetramethylindol-1-yl)anthracen-2-yl]-2,2,3,3-tetramethylindole

C48H46N4 — CID 140914156

About 1-[9,10-dipyridin-2-yl-6-(2,2,3,3-tetramethylindol-1-yl)anthracen-2-yl]-2,2,3,3-tetramethylindole

1-[9,10-dipyridin-2-yl-6-(2,2,3,3-tetramethylindol-1-yl)anthracen-2-yl]-2,2,3,3-tetramethylindole (PubChem CID 140914156) has the molecular formula C48H46N4 and a molecular weight of 678.92 g/mol. Its IUPAC name is 1-[9,10-dipyridin-2-yl-6-(2,2,3,3-tetramethylindol-1-yl)anthracen-2-yl]-2,2,3,3-tetramethylindole.

Molecular Properties

• Compound Name: 1-[9,10-dipyridin-2-yl-6-(2,2,3,3-tetramethylindol-1-yl)anthracen-2-yl]-2,2,3,3-tetramethylindole
• PubChem CID: 140914156
• Molecular Formula: C48H46N4
• Molecular Weight: 678.92 g/mol
• Exact Mass: 678.37
• IUPAC Name: 1-[9,10-dipyridin-2-yl-6-(2,2,3,3-tetramethylindol-1-yl)anthracen-2-yl]-2,2,3,3-tetramethylindole
• SMILES: CC1(C)c2ccccc2N(c2ccc3c(-c4ccccn4)c4cc(N5c6ccccc6C(C)(C)C5(C)C)ccc4c(-c4ccccn4)c3c2)C1(C)C
• InChI: InChI=1S/C48H46N4/c1-45(2)37-17-9-11-21-41(37)51(47(45,5)6)31-23-25-33-35(29-31)43(39-19-13-15-27-49-39)34-26-24-32(30-36(34)44(33)40-20-14-16-28-50-40)52-42-22-12-10-18-38(42)46(3,4)48(52,7)8/h9-30H,1-8H3
• InChIKey: YCXBBHIEYHFZFY-UHFFFAOYSA-N
• XLogP: 12.53
• TPSA: 32.26 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	678.92
LogP ≤ 5	12.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[9,10-dipyridin-2-yl-6-(2,2,3,3-tetramethylindol-1-yl)anthracen-2-yl]-2,2,3,3-tetramethylindole?

The IUPAC name of 1-[9,10-dipyridin-2-yl-6-(2,2,3,3-tetramethylindol-1-yl)anthracen-2-yl]-2,2,3,3-tetramethylindole (CID 140914156) is 1-[9,10-dipyridin-2-yl-6-(2,2,3,3-tetramethylindol-1-yl)anthracen-2-yl]-2,2,3,3-tetramethylindole.

What is the SMILES notation for 1-[9,10-dipyridin-2-yl-6-(2,2,3,3-tetramethylindol-1-yl)anthracen-2-yl]-2,2,3,3-tetramethylindole?

The canonical SMILES for 1-[9,10-dipyridin-2-yl-6-(2,2,3,3-tetramethylindol-1-yl)anthracen-2-yl]-2,2,3,3-tetramethylindole is CC1(C)c2ccccc2N(c2ccc3c(-c4ccccn4)c4cc(N5c6ccccc6C(C)(C)C5(C)C)ccc4c(-c4ccccn4)c3c2)C1(C)C.

What is the InChIKey of 1-[9,10-dipyridin-2-yl-6-(2,2,3,3-tetramethylindol-1-yl)anthracen-2-yl]-2,2,3,3-tetramethylindole?

The InChIKey is YCXBBHIEYHFZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H46N4/c1-45(2)37-17-9-11-21-41(37)51(47(45,5)6)31-23-25-33-35(29-31)43(39-19-13-15-27-49-39)34-26-24-32(30-36(34)44(33)40-20-14-16-28-50-40)52-42-22-12-10-18-38(42)46(3,4)48(52,7)8/h9-30H,1-8H3.

What are the key properties of 1-[9,10-dipyridin-2-yl-6-(2,2,3,3-tetramethylindol-1-yl)anthracen-2-yl]-2,2,3,3-tetramethylindole?

1-[9,10-dipyridin-2-yl-6-(2,2,3,3-tetramethylindol-1-yl)anthracen-2-yl]-2,2,3,3-tetramethylindole has a molecular weight of 678.92 g/mol, XLogP of 12.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[9,10-dipyridin-2-yl-6-(2,2,3,3-tetramethylindol-1-yl)anthracen-2-yl]-2,2,3,3-tetramethylindole is sourced from PubChem (CID 140914156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).