2-(10-benzo[c]phenanthren-5-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran

C48H28O — CID 90433761

About 2-(10-benzo[c]phenanthren-5-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran

2-(10-benzo[c]phenanthren-5-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran (PubChem CID 90433761) has the molecular formula C48H28O and a molecular weight of 620.75 g/mol. Its IUPAC name is 2-(10-benzo[c]phenanthren-5-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran.

Molecular Properties

• Compound Name: 2-(10-benzo[c]phenanthren-5-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
• PubChem CID: 90433761
• Molecular Formula: C48H28O
• Molecular Weight: 620.75 g/mol
• Exact Mass: 620.21
• IUPAC Name: 2-(10-benzo[c]phenanthren-5-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
• SMILES: c1ccc2cc3c(cc2c1)oc1ccc(-c2c4ccccc4c(-c4cc5ccc6ccccc6c5c5ccccc45)c4ccccc24)cc13
• InChI: InChI=1S/C48H28O/c1-2-13-31-28-45-42(25-30(31)12-1)41-26-33(23-24-44(41)49-45)47-37-17-7-9-19-39(37)48(40-20-10-8-18-38(40)47)43-27-32-22-21-29-11-3-4-14-34(29)46(32)36-16-6-5-15-35(36)43/h1-28H
• InChIKey: FSMPRBYFKMVTLI-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 2-(10-benzo[c]phenanthren-5-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran?

The IUPAC name of 2-(10-benzo[c]phenanthren-5-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran (CID 90433761) is 2-(10-benzo[c]phenanthren-5-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran.

What is the SMILES notation for 2-(10-benzo[c]phenanthren-5-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran?

The canonical SMILES for 2-(10-benzo[c]phenanthren-5-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran is c1ccc2cc3c(cc2c1)oc1ccc(-c2c4ccccc4c(-c4cc5ccc6ccccc6c5c5ccccc45)c4ccccc24)cc13.

What is the InChIKey of 2-(10-benzo[c]phenanthren-5-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran?

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

What are the key properties of 2-(10-benzo[c]phenanthren-5-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran?

2-(10-benzo[c]phenanthren-5-ylanthracen-9-yl)naphtho[2,3-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 2-(10-benzo[c]phenanthren-5-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 90433761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).