7-[8-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran-3-yl]-2-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran

C88H50O3 — CID 174184738

About 7-[8-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran-3-yl]-2-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran

7-[8-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran-3-yl]-2-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran (PubChem CID 174184738) has the molecular formula C88H50O3 and a molecular weight of 1155.37 g/mol. Its IUPAC name is 7-[8-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran-3-yl]-2-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran.

Molecular Properties

• Compound Name: 7-[8-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran-3-yl]-2-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
• PubChem CID: 174184738
• Molecular Formula: C88H50O3
• Molecular Weight: 1155.37 g/mol
• Exact Mass: 1154.38
• IUPAC Name: 7-[8-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran-3-yl]-2-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
• SMILES: c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5oc6cc7c(-c8ccc9c(ccc%10c%11cc(-c%12c%13ccccc%13c(-c%13ccc%14oc%15cc%16ccccc%16cc%15c%14c%13)c%13ccccc%12%13)ccc%11oc9%10)c8)cccc7cc6c5c4)cc3)c3ccccc23)cc1
• InChI: InChI=1S/C88H50O3/c1-2-15-52(16-3-1)84-64-20-6-8-22-66(64)85(67-23-9-7-21-65(67)84)53-31-29-51(30-32-53)56-35-40-79-75(45-56)78-46-57-19-14-28-62(73(57)50-83(78)90-79)58-33-38-63-59(43-58)34-39-72-74-47-60(37-42-81(74)91-88(63)72)86-68-24-10-12-26-70(68)87(71-27-13-11-25-69(71)86)61-36-41-80-76(48-61)77-44-54-17-4-5-18-55(54)49-82(77)89-80/h1-50H
• InChIKey: XYXTWCWQLMJZKD-UHFFFAOYSA-N
• XLogP: 25.46
• TPSA: 39.42 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1155.37
LogP ≤ 5	25.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[8-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran-3-yl]-2-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran?

The IUPAC name of 7-[8-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran-3-yl]-2-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran (CID 174184738) is 7-[8-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran-3-yl]-2-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran.

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

The canonical SMILES for 7-[8-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran-3-yl]-2-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran is c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5oc6cc7c(-c8ccc9c(ccc%10c%11cc(-c%12c%13ccccc%13c(-c%13ccc%14oc%15cc%16ccccc%16cc%15c%14c%13)c%13ccccc%12%13)ccc%11oc9%10)c8)cccc7cc6c5c4)cc3)c3ccccc23)cc1.

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

The InChIKey is XYXTWCWQLMJZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H50O3/c1-2-15-52(16-3-1)84-64-20-6-8-22-66(64)85(67-23-9-7-21-65(67)84)53-31-29-51(30-32-53)56-35-40-79-75(45-56)78-46-57-19-14-28-62(73(57)50-83(78)90-79)58-33-38-63-59(43-58)34-39-72-74-47-60(37-42-81(74)91-88(63)72)86-68-24-10-12-26-70(68)87(71-27-13-11-25-69(71)86)61-36-41-80-76(48-61)77-44-54-17-4-5-18-55(54)49-82(77)89-80/h1-50H.

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

7-[8-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran-3-yl]-2-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran has a molecular weight of 1155.37 g/mol, XLogP of 25.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[8-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran-3-yl]-2-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 174184738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).