10,10-dimethyl-6-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran

C47H32O — CID 144856944

About 10,10-dimethyl-6-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran

10,10-dimethyl-6-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran (PubChem CID 144856944) has the molecular formula C47H32O and a molecular weight of 612.77 g/mol. Its IUPAC name is 10,10-dimethyl-6-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran.

Molecular Properties

• Compound Name: 10,10-dimethyl-6-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran
• PubChem CID: 144856944
• Molecular Formula: C47H32O
• Molecular Weight: 612.77 g/mol
• Exact Mass: 612.25
• IUPAC Name: 10,10-dimethyl-6-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran
• SMILES: CC1(C)c2ccccc2-c2oc3c(-c4c5ccccc5c(-c5ccccc5-c5ccc6ccccc6c5)c5ccccc45)cccc3c21
• InChI: InChI=1S/C47H32O/c1-47(2)41-25-12-11-22-38(41)46-44(47)40-24-13-23-39(45(40)48-46)43-36-20-9-7-18-34(36)42(35-19-8-10-21-37(35)43)33-17-6-5-16-32(33)31-27-26-29-14-3-4-15-30(29)28-31/h3-28H,1-2H3
• InChIKey: OAELKGLTVMQTQA-UHFFFAOYSA-N
• XLogP: 13.20
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	612.77
LogP ≤ 5	13.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-6-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran?

The IUPAC name of 10,10-dimethyl-6-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran (CID 144856944) is 10,10-dimethyl-6-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran.

What is the SMILES notation for 10,10-dimethyl-6-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran?

The canonical SMILES for 10,10-dimethyl-6-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran is CC1(C)c2ccccc2-c2oc3c(-c4c5ccccc5c(-c5ccccc5-c5ccc6ccccc6c5)c5ccccc45)cccc3c21.

What is the InChIKey of 10,10-dimethyl-6-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran?

The InChIKey is OAELKGLTVMQTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32O/c1-47(2)41-25-12-11-22-38(41)46-44(47)40-24-13-23-39(45(40)48-46)43-36-20-9-7-18-34(36)42(35-19-8-10-21-37(35)43)33-17-6-5-16-32(33)31-27-26-29-14-3-4-15-30(29)28-31/h3-28H,1-2H3.

What are the key properties of 10,10-dimethyl-6-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran?

10,10-dimethyl-6-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran has a molecular weight of 612.77 g/mol, XLogP of 13.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 10,10-dimethyl-6-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran is sourced from PubChem (CID 144856944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).