9-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran

C86H52O2 — CID 158942554

About 9-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran

9-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran (PubChem CID 158942554) has the molecular formula C86H52O2 and a molecular weight of 1117.36 g/mol. Its IUPAC name is 9-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran.

Molecular Properties

• Compound Name: 9-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
• PubChem CID: 158942554
• Molecular Formula: C86H52O2
• Molecular Weight: 1117.36 g/mol
• Exact Mass: 1116.40
• IUPAC Name: 9-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
• SMILES: c1cc(-c2ccc3c(c2)oc2cc4ccccc4cc23)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5c(c4)oc4c6ccccc6ccc54)c4ccccc34)ccc2c1
• InChI: InChI=1S/C46H28O.C40H24O/c1-2-11-30-24-36(21-20-29(30)10-1)46-40-18-7-5-16-38(40)45(39-17-6-8-19-41(39)46)35-15-9-14-31(25-35)34-22-23-37-42-26-32-12-3-4-13-33(32)27-44(42)47-43(37)28-34;1-2-11-27-23-28(18-17-25(27)9-1)38-32-13-5-7-15-34(32)39(35-16-8-6-14-33(35)38)29-20-21-31-36-22-19-26-10-3-4-12-30(26)40(36)41-37(31)24-29/h1-28H;1-24H
• InChIKey: JKKWBTWVBQBFOV-UHFFFAOYSA-N
• XLogP: 24.73
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1117.36
LogP ≤ 5	24.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 9-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran (CID 158942554) is 9-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran.

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

The canonical SMILES for 9-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran is c1cc(-c2ccc3c(c2)oc2cc4ccccc4cc23)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5c(c4)oc4c6ccccc6ccc54)c4ccccc34)ccc2c1.

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

The InChIKey is JKKWBTWVBQBFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28O.C40H24O/c1-2-11-30-24-36(21-20-29(30)10-1)46-40-18-7-5-16-38(40)45(39-17-6-8-19-41(39)46)35-15-9-14-31(25-35)34-22-23-37-42-26-32-12-3-4-13-33(32)27-44(42)47-43(37)28-34;1-2-11-27-23-28(18-17-25(27)9-1)38-32-13-5-7-15-34(32)39(35-16-8-6-14-33(35)38)29-20-21-31-36-22-19-26-10-3-4-12-30(26)40(36)41-37(31)24-29/h1-28H;1-24H.

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

9-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran has a molecular weight of 1117.36 g/mol, XLogP of 24.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 158942554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).