1-(1,2,3,4,5,6,7,8-octamethyl-10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran

C48H40O — CID 167687293

About 1-(1,2,3,4,5,6,7,8-octamethyl-10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran

1-(1,2,3,4,5,6,7,8-octamethyl-10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran (PubChem CID 167687293) has the molecular formula C48H40O and a molecular weight of 632.85 g/mol. Its IUPAC name is 1-(1,2,3,4,5,6,7,8-octamethyl-10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran.

Molecular Properties

• Compound Name: 1-(1,2,3,4,5,6,7,8-octamethyl-10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
• PubChem CID: 167687293
• Molecular Formula: C48H40O
• Molecular Weight: 632.85 g/mol
• Exact Mass: 632.31
• IUPAC Name: 1-(1,2,3,4,5,6,7,8-octamethyl-10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
• SMILES: Cc1c(C)c(C)c2c(-c3cccc4oc5cc6ccccc6cc5c34)c3c(C)c(C)c(C)c(C)c3c(-c3ccc4ccccc4c3)c2c1C
• InChI: InChI=1S/C48H40O/c1-25-27(3)31(7)44-42(29(25)5)46(37-21-20-33-14-9-10-15-34(33)22-37)43-30(6)26(2)28(4)32(8)45(43)48(44)38-18-13-19-40-47(38)39-23-35-16-11-12-17-36(35)24-41(39)49-40/h9-24H,1-8H3
• InChIKey: WBFSJPGDFSAJJC-UHFFFAOYSA-N
• XLogP: 14.00
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	632.85
LogP ≤ 5	14.00
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 1-(1,2,3,4,5,6,7,8-octamethyl-10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran?

The IUPAC name of 1-(1,2,3,4,5,6,7,8-octamethyl-10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran (CID 167687293) is 1-(1,2,3,4,5,6,7,8-octamethyl-10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran.

What is the SMILES notation for 1-(1,2,3,4,5,6,7,8-octamethyl-10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran?

The canonical SMILES for 1-(1,2,3,4,5,6,7,8-octamethyl-10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran is Cc1c(C)c(C)c2c(-c3cccc4oc5cc6ccccc6cc5c34)c3c(C)c(C)c(C)c(C)c3c(-c3ccc4ccccc4c3)c2c1C.

What is the InChIKey of 1-(1,2,3,4,5,6,7,8-octamethyl-10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran?

The InChIKey is WBFSJPGDFSAJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H40O/c1-25-27(3)31(7)44-42(29(25)5)46(37-21-20-33-14-9-10-15-34(33)22-37)43-30(6)26(2)28(4)32(8)45(43)48(44)38-18-13-19-40-47(38)39-23-35-16-11-12-17-36(35)24-41(39)49-40/h9-24H,1-8H3.

What are the key properties of 1-(1,2,3,4,5,6,7,8-octamethyl-10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran?

1-(1,2,3,4,5,6,7,8-octamethyl-10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran has a molecular weight of 632.85 g/mol, XLogP of 14.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,2,3,4,5,6,7,8-octamethyl-10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 167687293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).