2-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)-7-[8-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran-3-yl]naphtho[2,3-b][1]benzofuran

C92H50O4 — CID 134420396

About 2-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)-7-[8-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran-3-yl]naphtho[2,3-b][1]benzofuran

2-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)-7-[8-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran-3-yl]naphtho[2,3-b][1]benzofuran (PubChem CID 134420396) has the molecular formula C92H50O4 and a molecular weight of 1219.41 g/mol. Its IUPAC name is 2-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)-7-[8-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran-3-yl]naphtho[2,3-b][1]benzofuran.

Molecular Properties

• Compound Name: 2-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)-7-[8-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran-3-yl]naphtho[2,3-b][1]benzofuran
• PubChem CID: 134420396
• Molecular Formula: C92H50O4
• Molecular Weight: 1219.41 g/mol
• Exact Mass: 1218.37
• IUPAC Name: 2-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)-7-[8-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran-3-yl]naphtho[2,3-b][1]benzofuran
• SMILES: c1ccc2cc3c(cc2c1)oc1ccc(-c2c4ccccc4c(-c4ccc5oc6c7ccc(-c8cccc9cc%10c(cc89)oc8ccc(-c9c%11ccccc%11c(-c%11ccc%12oc%13ccc%14ccccc%14c%13c%12c%11)c%11ccccc9%11)cc8%10)cc7ccc6c5c4)c4ccccc24)cc13
• InChI: InChI=1S/C92H50O4/c1-2-16-53-49-85-77(43-52(53)15-1)75-46-58(31-37-80(75)94-85)88-66-21-7-5-19-64(66)87(65-20-6-8-22-67(65)88)57-33-39-82-74(45-57)72-36-29-56-42-55(28-35-63(56)92(72)96-82)61-27-13-17-54-44-78-76-47-59(32-38-81(76)95-86(78)50-73(54)61)89-68-23-9-11-25-70(68)90(71-26-12-10-24-69(71)89)60-34-40-83-79(48-60)91-62-18-4-3-14-51(62)30-41-84(91)93-83/h1-50H
• InChIKey: XRJWMZMZFYVAMR-UHFFFAOYSA-N
• XLogP: 26.84
• TPSA: 52.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1219.41
LogP ≤ 5	26.84
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 2-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)-7-[8-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran-3-yl]naphtho[2,3-b][1]benzofuran?

The IUPAC name of 2-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)-7-[8-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran-3-yl]naphtho[2,3-b][1]benzofuran (CID 134420396) is 2-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)-7-[8-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran-3-yl]naphtho[2,3-b][1]benzofuran.

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

The canonical SMILES for 2-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)-7-[8-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran-3-yl]naphtho[2,3-b][1]benzofuran is c1ccc2cc3c(cc2c1)oc1ccc(-c2c4ccccc4c(-c4ccc5oc6c7ccc(-c8cccc9cc%10c(cc89)oc8ccc(-c9c%11ccccc%11c(-c%11ccc%12oc%13ccc%14ccccc%14c%13c%12c%11)c%11ccccc9%11)cc8%10)cc7ccc6c5c4)c4ccccc24)cc13.

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

The InChIKey is XRJWMZMZFYVAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H50O4/c1-2-16-53-49-85-77(43-52(53)15-1)75-46-58(31-37-80(75)94-85)88-66-21-7-5-19-64(66)87(65-20-6-8-22-67(65)88)57-33-39-82-74(45-57)72-36-29-56-42-55(28-35-63(56)92(72)96-82)61-27-13-17-54-44-78-76-47-59(32-38-81(76)95-86(78)50-73(54)61)89-68-23-9-11-25-70(68)90(71-26-12-10-24-69(71)89)60-34-40-83-79(48-60)91-62-18-4-3-14-51(62)30-41-84(91)93-83/h1-50H.

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

2-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)-7-[8-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran-3-yl]naphtho[2,3-b][1]benzofuran has a molecular weight of 1219.41 g/mol, XLogP of 26.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)-7-[8-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran-3-yl]naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 134420396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).