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

C48H28O — CID 170679872

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

8-(10-benzo[g]phenanthren-3-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran (PubChem CID 170679872) has the molecular formula C48H28O and a molecular weight of 620.75 g/mol. Its IUPAC name is 8-(10-benzo[g]phenanthren-3-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran.

Molecular Properties

• Compound Name: 8-(10-benzo[g]phenanthren-3-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
• PubChem CID: 170679872
• Molecular Formula: C48H28O
• Molecular Weight: 620.75 g/mol
• Exact Mass: 620.21
• IUPAC Name: 8-(10-benzo[g]phenanthren-3-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
• SMILES: c1ccc2c(c1)ccc1c3cc(-c4c5ccccc5c(-c5ccc6c(ccc7ccc8ccccc8c76)c5)c5ccccc45)ccc3oc21
• InChI: InChI=1S/C48H28O/c1-3-11-35-29(9-1)17-18-31-19-20-32-27-33(22-24-36(32)45(31)35)46-38-13-5-7-15-40(38)47(41-16-8-6-14-39(41)46)34-23-26-44-43(28-34)42-25-21-30-10-2-4-12-37(30)48(42)49-44/h1-28H
• InChIKey: NJTPZNYVGUGIKG-UHFFFAOYSA-N
• XLogP: 13.84
• 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	620.75
LogP ≤ 5	13.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-(10-benzo[g]phenanthren-3-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran?

The IUPAC name of 8-(10-benzo[g]phenanthren-3-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran (CID 170679872) is 8-(10-benzo[g]phenanthren-3-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran.

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

The canonical SMILES for 8-(10-benzo[g]phenanthren-3-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran is c1ccc2c(c1)ccc1c3cc(-c4c5ccccc5c(-c5ccc6c(ccc7ccc8ccccc8c76)c5)c5ccccc45)ccc3oc21.

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

The InChIKey is NJTPZNYVGUGIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28O/c1-3-11-35-29(9-1)17-18-31-19-20-32-27-33(22-24-36(32)45(31)35)46-38-13-5-7-15-40(38)47(41-16-8-6-14-39(41)46)34-23-26-44-43(28-34)42-25-21-30-10-2-4-12-37(30)48(42)49-44/h1-28H.

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

8-(10-benzo[g]phenanthren-3-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran has a molecular weight of 620.75 g/mol, XLogP of 13.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(10-benzo[g]phenanthren-3-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 170679872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).